300. Pressure-Induced Simultaneous Metal-Insulator and Structural
Phase Transitions in LiH: a Quasiparticle Study_{2}
S. Lebegue, B. Arnaud, M. Alouani, and W. E. Pickett Europhysics Letters (2003,submitted) |
299. Theory of Orbital Moment Collapse under Pressure in FeI_{2}
J. Kunes, H. Rosner, D. Kasinathan, C. O. Rodriguez, and W. E. Pickett submitted (2003) |
298. Peculiarities of Tight Binding Representations of
CaCu_{3}Ti_{4}O_{12} Quadruple Perovskites
M. D. Johannes and W. E. Pickett Acta Phys. Polonica B (2003, in press) |
297. Computational Design of Multifunctional Materials
N. A. Spaldin and W. E. Pickett J. Solid State Chem. (submitted, 2003) |
296. Self-interaction Correction and Contact Hyperfine Field
P. Novak, J. Kunes, W. E. Pickett, W. Ku, and F. R. Wagner Phys. Rev. B (submitted, 2003) |
295. Six Low-Strain Half Metals
J. E. Pask, L. H. Yang, C. Y. Fong, W. E. Pickett, and S. Dag Phys. Rev. B (submitted, 2003) |
294. Theoretical Investigation of Stoichiometric Lithium Monoboride
H. Rosner and W. E. Pickett Phys. Rev. B 67(2003, in press) |
293. Extreme Electron-Phonon Coupling in Boron-based Layered Superconductors
J. An, H. Rosner, S. Y. Savrasov, and W. E. Pickett Phys. Rev. B 66, 220502 (2002) |
292. High Temperature Expansions for the J_{1}-J_{2}
Heisenberg Model: Applications to ab initio Calculated Models
for Li_{2}VOSiO_{4} and Li_{2}VOGeO_{4}
H. Rosner, R. R. P. Singh, W. H. Zheng, J. Oitmaa, and W. E. Pickett Phys. Rev. B 67, 0144xx (2003) |
291. Role of Two Dimensionality in MgB_{2}
W. E. Pickett, J. M. An, H. Rosner, and S. Y. Savrasov Physica C xx, xxxxxx (2002, in press) |
290. Vibrational Modes in LiBC: Theory and Experiment
J. M. An, H. Rosner, S. Y. Savrasov, and W. E. Pickett Physica B xx, xxxxxx (2002, in press) |
289. Microscopic Analysis of Insulating Magnetism of
La_{4}Ba W. Ku, H. Rosner, W. E. Pickett, and R. T. Scalettar J. Solid State Chem. xx, xxxxxx (2003, in press) |
288. Insulating Ferromagnetism in
La_{4}Ba W. Ku, H. Rosner, W. E. Pickett, and R. T. Scalettar Phys. Rev. Lett. 88, 167204 (2002) |
287. Conventional Electronic Structure of MgB_{2} and
ZrB_{2}: LDA vs. de Haas - van Alphen and ARPES Data.
S.-L. Drechsler, H. Rosner, J. M. An, W. E. Pickett, V. D. P. Servedio, T. Mishonov, E. Forzani, and K. Winzer J. Low Temp. Phys. (2002, in press) pdf |
286. A Comparative Study of MgB_{2} and Other Diborides.
G. Fuchs, S.-L. Drechsler, K.-H. Mueller, A. Handstein, S. V. Shulga, G. Behr, A. Guembel, J. Eckert, K. Nenkov, V. N. Narozhnyi, L. Schultz, H. Eschrig, S. Otani, H. Rosner, and W. E. Pickett J. Low Temp. Phys. (2002, in press) pdf |
285. Superconductivity and Electronic Structure in MgCNi_{3}.
H. Rosner, M. D. Johannes, W. E. Pickett, G. Fuchs, A. Waite, S.-L. Drechsler, S. V. Shulga, K.-H. Mueller, A. Handstein, K. Nenkov, J. Freudenberger, and L. Schultz Physica B (2002, in press) pdf |
284. High Temperature Expansions for the J_{1}-J_{2}
Heisenberg Models: Applications to Ab Initio Calculated Models of
Li_{2}VOSiO_{4} and Li_{2}VOGeO_{4
} H. Rosner, R. R. P. Singh, W. E. Pickett, W. H. Zheng, and J. Oitmaa Acta Physica Polonica (2002, in press) pdf |
283. Structural Aspects of Magnetic Coupling in
CaCu_{3}Mn_{4}O_{12} and
CaCu_{3}Ti_{4}O_{12}
M. D. Johannes, W. E. Pickett, and R. Weht Mat. Res. Soc. Symp. Proc. Vol. 718 (Perovskite Materials), 25-33 (2002) pdf |
282. Superconductivity near ferromagnetism in MgCNi_{3}
H. Rosner, R. Weht, M. D. Johannes, W. E. Pickett, and E. Tosatti Mat. Res. Soc. Symp. Proc. Vol. 718 (Perovskite Materials), 53-58 (2002) pdf |
281. Fermi Surfaces of Diborides: MgB_{2} and ZrB_{2}
H. Rosner, J.M. An, W.E. Pickett and S.-L. Drechsler
Phys. Rev. B 66, 024521 (2002) pdf |
280. XMCD Characterization of Ferromagnetic State of
Yb_{14}MnSb_{11}
A. P. Holm, S. M. Kauzlarich, S. A. Morton, G. D. Waddill, W. E. Pickett, and J. G. Tobin J. Amer. Chem. Soc. 124, 9894-9898 (2002) pdf |
279. Realization of a Large J_{2} Quasi-2D Spin-half Heisenberg
System: Li_{2}VOSiO_{4}.
H. Rosner, R. R. P. Singh, W. H. Zheng, J. Oitmaa, S.-L. Drechsler, and W. E. Pickett Phys. Rev. Lett. 88, 186405 (2002) pdf |
278. Electronic Structure and Exchange Coupling in
Li_{2}VOSiO_{4}.
H. Rosner, R. R. P. Singh, W. E. Pickett, W. H. Zheng, and J. Oitmaa and W. E. Pickett Intern. J. Mod. Phys. B 16, 1649-53 (2002) pdf |
277. Prediction of High T_{c} Superconductivity in Hole-doped
LiBC.
H. Rosner, A. Kitaigorodsky, and W. E. Pickett Phys. Rev. Lett. 88, 127001 (2002) pdf |
276. Bonding, Moment Formation, and Magnetic Interactions in
Ca_{14}MnBi_{11} and Ba_{14}MnBi_{11}.
D. Sanchez-Portal, R. M. Martin, S. M. Kauzlarich, and W. E. Pickett Phys. Rev. B 65, 144414 (2002) |
275. Quantum Confinement in CdSe Nanocrystallites
K. E. Andersen, C. Y. Fong, and W. E. Pickett J. Non-cryst. Solids 299-302, 1105-1110 (2002). |
274. Electronic Structure and Magnetic Character of UGe_{2}
A. B. Shick and W. E. Pickett J. Appl. Phys. 91, 7660 (2002) postscript |
273. Ab Initio Investigation of Collective Charge Excitations in
MgB_{2}
W. Ku, W. E. Pickett, R. T. Scalettar, and A. G. Eguiluz Phys. Rev. Lett. 88, 057001 (2002) |
272. Superconductivity near Ferromagnetism in MgCNi_{3}
H. Rosner, R. Weht, M. D. Johannes, W. E. Pickett, and E. Tosatti Phys. Rev. Lett. 88, 027001 (2002). |
271. MgB_{2}: Complex Behavior from a Simple Compound
H. Rosner, J. M. An, M. Johannes, W. Ku, R. T. Scalettar, W. E. Pickett, S. V. Shulga, S.-L. Drechsler, H. Eschrig, W. Weber, and A. G. Eguiluz in Studies of High Temperature Superconductors, Vol. 38, edited by A. Narlikar (Nova, New York, 2001) |
270. Electronic Structure and Weak Electron-Phonon Coupling in TaB_{2}
H. Rosner, W.E. Pickett, S.-L. Drechsler, A. Handstein, G. Behr, G. Fuchs, K. Nenkov, K.-H. Müller, and H. Eschrig Phys. Rev. B 64, 144516 (2001) |
269. Half Metallic Magnets
W. E. Pickett and J. S. Moodera Physics Today 54, 39-44 (May, 2001). |
268. Superconductivity of MgB_{2}: Covalent Bonds Driven Metallic
J. M. An and W. E. Pickett Phys. Rev. Lett. 86, 4366 (2001) |
267. Ground and Metastable States in Gamma-Ce from
Correlated Band Theory
A. B. Shick, W.E. Pickett, and A.I. Liechtenstein J. Electron Spectrosc. & Related Phen. 114-116, 753-758 (2001) pdf |
266. Density Functional Theory of Magnetic Systems Revisited
H. Eschrig and W. E. Pickett Solid State Commun. 118, 123-127 (2001) |
265. Other High Temperature Superconductors
W. E. Pickett Physica B 296, 112-119 (2001) |
264. Magnetoelectonric Properties of a Ferrimagnetic Semiconductor:
The Hybrid Cupromanganite CaCu_{3}Mn_{4}O_{12}.
R. Weht and W. E. Pickett Phys. Rev. B 65, 014425 (2001) |
263. Magnetism, Spin-Orbit Coupling, and Superconducting Pairing in
UGe_{2}
A. B. Shick and W.E. Pickett, Phys. Rev. Lett. 86, 300-303 (2001) |
262. Applications of the NRL-TB Method to Magnetic Systems
M. J. Mehl, D. A. Papaconstantopoulos, I. I. Mazin, N. C. Bacalis, and W. E. Pickett J. Appl. Phys. 89, 6880-6882 (2001) |
261. Double Exchange Driven Spin Pairing at the (001) Surface of Manganites
A. Filippetti and W. E. Pickett Phys. Rev. B 62, 11571-11575 (2000) |
260. Electron Correlation Effects at the Gd(0001) Surface
A. B. Shick, W. E. Pickett, and C. S. Fadley J. Appl. Phys. 87, 5878 (2000) |
259. Superconductivity and Magnetism in
RuSr_{2}GdCu_{2}O_{8}.
A. B. Shick, R. Weht, and W. E. Pickett J. Supercond. 13, 687 (2000) |
258. Electronic Fine Structure in the Electron-Hole Plasma in SrB_{6}
C. O. Rodriguez, R. Weht, and W. E. Pickett Phys. Rev. Lett. 84, 3903 (2000); erratum 86, 1142 (2001). |
257. Electron Correlation Effects and Magnetic Ordering at the Gd (0001) Surface
A. B. Shick, W. E. Pickett, and C. S. Fadley Phys. Rev. B 61, R9213 (2000) |
256. Electronic structure of
Cu_{1-x}Ni_{x}Rh_{2}S_{4} and
CuRh_{2}Se_{4}: Band Structure Calculations, X-ray
Photoemission and Fluorescence Measurements
G. L. W. Hart, W. E. Pickett, E. Z. Kurmaev, D. Hartmann, M. Neumann, A. Moewes, D. L. Ederer, R. Endoh,K. Taniguchi, and S. Nagata Phys. Rev. B 61, 4230 (2000) |
255. Superconductivity in Ferromagnetic
RuSr_{2}GdCu_{2}O_{8}
W. E. Pickett, R. Weht, and A. B. Shick Phys. Rev. Lett. 83, 3713 (1999) |
254. Magnetic Reconstruction of the CaMnO_{3} (001) Surface
A. Filippetti and W. E. Pickett Phys. Rev. Lett. 83, 4184-4187 (1999) |
253. Electron Doping in the Honeycomb Bilayer Superconductors (Zr,Hf)NCl
R. Weht, A. Filipetti, and W. E. Pickett Europhys. Lett. 48, 320 (1999) |
252. Ab Initio Calculation of Spin Gap Behavior in CaV_{4}O_{9}
C. S. Hellberg, W. E. Pickett, L. L. Boyer, H. T. Stokes, and M. J. Mehl J. Phys. Soc. Japan 68, 3489 (1999) |
251. On the Coexistence in RuSr_{2}GdCu_{2}O_{8}
of Superconductivity and Ferromagnetism
R. Weht, A. B. Shick, and W. E. Pickett High Temperature Superconductivity: Proc. of Miami HTS99, edited by S. E. Barnes et al.(AIP, New York, 1999), 141-146. |
250. Electronic Characteristics of Quasi-2D Metallochloronitrides:
Na_{x}HfNCl (T_{c} = 25 K)
R. Weht, A. Filippetti, and W. E. Pickett High Temperature Superconductivity: Proc. of Miami HTS99, edited by S. E. Barnes et al.(AIP, New York, 1999), 366-371. |
Implementation of the LDA+U Method Using the Full Potential
Linearized Augmented Plane Wave Basis
A. B. Shick, A. I. Liechtenstein, and W. E. Pickett Phys. Rev. B 60, 10763 (1999) |
Half-Metallic Ferrimagnetism in Mn_{2}VAl
R. Weht and W. E. Pickett Phys. Rev. B 60, 13006 (1999) |
Prediction of a ferromagnetic ground state for NaCl-type FeN
A. Filippetti and W. E. Pickett Phys. Rev. B 59, 8397 (1999) |
Competition between magnetic and structural transitions in CrN
A. Filippetti, W. E. Pickett, and B. M. Klein Phys. Rev. B 59, 7043 (1999) |
Density Functional Studies of Magnetic Properties, Lattice Distortion,
and Transport in Manganites
W. E. Pickett, D. J. Singh, and D. A. Papaconstantopoulos in Physics of Manganites, edited by T. A. Kaplan and S. D. Mahanti (Plenum, New York, 1999) |
Ferromagnetic Superlattices: A Comment
W. E. Pickett Science 281, 1571a (1998) |
Comment on "Bloch Electrons in a Jahn-Teller Crystal and an
Orbital-Density-Wave State due to the Berry Phase
W. E. Pickett and D. J. Singh Phys. Rev. Lett. 81, 3802 (1998) |
Extended Moment Formation and Second Neighbor Coupling in
Li_{2}CuO_{2}
R. Weht and W. E. Pickett Phys. Rev. Lett. 80, 2502 (1998) |
Excitonic Correlations in Fe_{2}VAl
R. Weht and W. E. Pickett Phys. Rev. B 58, 6855 (1998) |
Reformulation of the LDA+U Method For a Local Orbital Basis
W. E. Pickett, S. C. Erwin, and E. C. Ethridge Phys. Rev. B 58, 1201 (1998) |
Electronic Instability in Inverse K_{2}NiF_{4}
Structure Na_{2}Sb_{2}Ti_{2}O
W. E. Pickett Phys. Rev. B 58, 4335 (1998) |
Tight Binding Coherent Potential Approximation Study of
Ferromagnetic La_{2/3}Ba_{1/3}MnO_{3}
D. A. Papaconstantopoulos and W. E. Pickett Phys. Rev. B 57, 12751-12756 (1998) |
Lattice Effects in Ferromagnetic Manganite Perovskites
D. J. Singh and W.E. Pickett J. Appl. Phys. 83, 7354-7356 (1998) |
The Josephson Effect in Single Spin Superconductors
R. E. Rudd and W. E. Pickett J. Phys. Chem. Solids 59, 2070 (1998) |
Pseudogaps, Jahn-Teller Distortion and Magnetic Order in Manganite Perovskites
D. J. Singh and W. E. Pickett Phys. Rev. B 57, 88-91 (1998) |
Coupling Across an Intimate Cuprate-Manganite Interface
W. E. Pickett J. Supercond. 10, 577-581 (1997) |
Impact of Structure on Magnetic Coupling in CaV_{4}O_{9}
W. E. Pickett Phys. Rev. Lett. 79, 1746-1749 (1997) |
Spin Density Functional Based Search for Half-Metallic Antiferromagnets
W. E. Pickett Phys. Rev. B 57, 10613-10619 (1998) |
Single Spin Superconductivity: Formulation and Ginzburg-Landau Theory
R. E. Rudd and W. E. Pickett Phys. Rev. B 57, 557 (1998) |
Density Functionals for Energies and Eigenvalues: Local Mass Approximation
G. E. Engel and W. E. Pickett in Electronic Density Functional Theory: Recent Progress and New Directions, edited by J. F. Dobson, G. Vignale, and M. P. Das (Plenum, New York, 1998) |
Effect of Uniaxial Strains on the Electronic Structure of
YBa_{2}Cu_{3}O_{7}
W. E. Pickett Physica C 289, 51-62 (1997) |
Vortex Lattices in Cubic Superconductors
V. G. Kogan, P. Miranovic, Lj. Dobrosavljevic-Grujic, W. E. Pickett, and D. K. Cristen Phys. Rev. Lett. 79, 741 (1997) |
Uniaxial Strain Dependence of T_{c} in
YBa_{2}Cu_{3}O_{7}: Internal
Strain Induced Intralayer Charge Transfer
W. E. Pickett Phys. Rev. Lett. 78, 1960 (1997) |
Transport and Fermiology of the
Ferromagnetic Phase of La_{2/3}A_{1/3}MnO_{3}
(A=Ca,Sr,Ba)
W. E. Pickett and D. J. Singh J. Magn. Magn. Mater. 172, 237-246 (1997) |
Chemical Disorder and Charge Transport in Ferromagnetic Manganites
W. E. Pickett and D. J. Singh Phys. Rev. B 55 (RC), R8642 (1997) |
The Electronic Structure of Intermetallic Borocarbide and
Related Superconductors from High Energy Spectroscopy
M. S. Golden, T. Böske, M. Kielwein, M. Knupfer, O. Knauff, S. Haffner, G. Behr, J. Fink, S. R. Barman, D. A. Teehan, A. W. Robinson, W. E. Pickett, D. J. Singh, and G. Hilscher J. Low Temp. Phys. 105, 1617-1622 (1996) |
Single Spin Superconductivity
W. E. Pickett Phys. Rev. Lett. 77, 3185 (1996) |
Electronic and Vibrational Properties of Skutterudites
D. J. Singh, L. Nordstrom, W. E. Pickett, and J. L. Feldman Proc. ICT '96: XV Intl. Conf. on Thermoelectrics, edited by T. Caillat, A. Borshchevsky, and J. P. Fleurial (IEEE, Piscataway NJ, 1996), 84-90. |
Investigation of Density Functionals to Predict Both
Ground State Properties and Band Structures
G. E. Engel and W. E. Pickett Phys. Rev. B 54, 8420 (1996) |
Core Electron Spectroscopic Studies of YNi_{2}B_{2}C
T. Böske, M. Kielwein, M. Knupfer, S. R. Barman, G. Behr, M. Buchgeister, M. S. Golden, J. Fink, D. J. Singh and W. E. Pickett Solid State Commun. 98, 813-817 (1996) |
Non-collinear Magnetic States: From Density Functional
Theory to Model Hamiltonians
W. E. Pickett J. Korean Phys. Soc.(Proc. Suppl.) 29, S70-S74 (1996) |
Thermal Transport Across Boundaries in Diamond Structure Materials
W. E. Pickett, J. L. Feldman, and J. Deppe Modelling Simul. Mater. Sci. Eng. 4, 409-419 (1996) |
Electronic Structure and Stability of Ordered Vacancy
Phases of NbN
E. C. Ethridge, S. C. Erwin, and W. E. Pickett in Materials Theory, Simulations, and Parallel Algorithms, MRS Symp. Proc. Vol. 408, edited by E. Kaxiras, J. Joannopoulos, P. Vashishta, and R. K. Kalia (MRS, 1996) |
Niobium Nitride: Stability and Integrity of the NbO Phase
E. C. Ethridge, S. C. Erwin, and W. E. Pickett Phys. Rev. B 53, 12563 (1996) |
Niobium Nitride: Stability and Integrity of the NbO Phase
W. E. Pickett, E. C. Ethridge, and S. C. Erwin Solid State Commun. 100, 691 (1996) |
Electronic, Magnetic, and Structural Coupling in Colossal
Magnetoresistive (La,Ca)MnO_{3}
W. E. Pickett and D. J. Singh J. Vac. Sci. Technol. B 14, 3136 (1996) |
Comment on "Density Functional Description of the
Electronic Structure of LaMO_{3}
(M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni)"
W. E. Pickett and D. J. Singh Phys. Rev. B 53, 7550 (1996) |
Electronic Structure and Half-Metallic Transport
in the La_{1-x}Ca_{x}MnO_{3} System
W. E. Pickett and D. J. Singh Phys. Rev. B 53, 1146-1160 (1996) |
Magnetoelectronic and Magnetostructural Coupling in the
La_{1-x}Ca_{x}MnO_{3} System
W. E. Pickett and D. J. Singh Europhys. Lett. 32, 759-764 (1995) |
Metastability of NbN in the Ordered Vacancy NbO Phase
E. C. Ethridge, S. C. Erwin and W. E. Pickett Phys. Rev. B 52, R8589 (1995) |
Superconductivity of Boronitrides
D. J. Singh and W. E. Pickett Nature 374, 682 (1995) |
Anharmonic Oxygen Displacements in La_{2-x}(Sr,Ba)_{x}
Planes and in YBa_{2}Cu_{3}O_{7} Chains
W. E. Pickett in Anharmonic Properties of High-T_{c} Cuprates, edited by D. Mihailovic, G. Ruani, E. Kaldis, and K. A. Mueller (World Scientific, Singapore, 1995), pp. 159-170. |
Unusual Oxygen Doping Behavior in Hg Cuprates and Its
Pressure Dependence
D. J. Singh and D. J. Singh J. Supercond. 8, 769-771 (1995) |
New Class of Intermetallic Borocarbides:
Electron-Phonon Coupling and Physical Parameters
W. E. Pickett and D. J. Singh J. Supercond. 8, 425 (1995) |
Band Structure of Bi_{2}Sr_{2}CuO_{6}: Strong Effects due to Structural
Modification
D. J. Singh and W. E. Pickett J. Supercond. 8, 583 (1995) |
Electronic and Structural Properties of La_{3}Ni_{2}B_{2}N_{3}
D. J. Singh and W. E. Pickett Phys. Rev. B 51, 8668 (1995) |
Regularities Among the Classes of High Temperature
Superconductors: Questions of Pressure
W. E. Pickett and D. J. Singh in Quantum Theory of Real Materials (M. L. Cohen Festschrift), edited by J. R. Chelikowsky and S. G. Louie (World Scientific, Singapore, 1995) |
Structural Modifications in Bismuth Cuprates:
Effects on the Electronic Structure and Fermi Surface
D. J. Singh and W. E. Pickett Phys. Rev. B 51, 3128 (1995) |
A Resonant Photoemission Study of YNi_{2}B_{2}C
M. S. Golden, M. Knupfer, M. Kielwein, M. Buchgeister, J. Fink, D. Teehan, W. E. Pickett and D. J. Singh Europhys. Lett. 28, 369-374 (1994) |
Pressure Dependent Electronic Structure and Doping In
HgBa_{2}Ca_{2}Cu_{3}O_{8}
D. J. Singh and W. E. Pickett Physica C 233, 237-241 (1994) P. Monceau, Grenoble, July 1994. |
Skutterudite Antimonides: Quasi-Linear Bands and
Novel Transport
D. J. Singh and W. E. Pickett Phys. Rev. B 50 (RC), 11235-11239 (1994) |
Electronic Structure Studies of Doped and Undoped Hg-Ba-Ca-Cu-O
D. J. Singh and W. E. Pickett in Proc. Conf. on Materials and Mechanisms of Superconductivity IV, edited by M. Cyrot and Carter Jr., G. Gildenbelt, S. Nakamura, and R. J. Nemanich (MRS, Pittsburgh, 1994), 27-32. |
A Negative Electron Affinity and Low Work Function
Surface: Cesium on Oxygenated Diamond (100)
W. E. Pickett Phys. Rev. Lett. 73, 1664 (1994) |
Dynamics at a Step on the Diamond (111) Surface
B. N. Davidson and W. E. Pickett n Diamond, Silicon and Nitride Wide-Bandgap Semiconductors, MRS Proc. 339, edited by C. H. |
Unconventional Oxygen Doping Behavior in
HgBa_{2}Ca_{2}Cu3O_{8}
D. J. Singh and W. E. Pickett Phys. Rev. Lett. 73, 476 (1994) |
LuNi_{2}B_{2}C: A Novel Ni-based Strong-Coupling
Superconductor
W. E. Pickett and D. J. Singh Phys. Rev. Lett. 72, 3702 (1994); Erratum: 74, 3303 (1995) Physica C 220, 359-366 (1994) |
Graphite Layer Formation at a Diamond (111)
Surface Step
B. N. Davidson and W. E. Pickett Phys. Rev. B 49, 14770 (1994) |
Electronic Structure of the BaA_{1-x}BxO_{3}
(A,B=Pb,Bi,Sn,Sb) Alloy Systems: Implications for Superconductivity
J. P. Julien, D. A. Papaconstantopoulos, D. J. Singh, W. E. Pickett and F. Cyrot-Lackmann |
Modeling CVD Diamond with Density Functional Theory
W. E. Pickett, M. R. Pederson and B. N. Davidson Nanotechnol. 5, 1-7 (1994) J. Supercond. 7, 651 (1994) |
Tight-Binding Study of Hydrogen on the C(111),
C(100), and C(110) Surfaces
B. N. Davidson and W. E. Pickett Phys. Rev. B 49, 11253 (1994) Phys. Rev. B 48, 17400 (1993) |
Electron-Phonon Coupling in A_{3}C_{60}:
Contributions from Intermolecular Modes
W. E. Pickett, D. A. Papaconstantopoulos, M. R. Pederson and S. C. Erwin |
Electronic Structure Investigations of Siloxenic
Clusters and Films
M. R. Pederson, W. E. Pickett and S. C. Erwin |
Clues to the Fundamental Properties of High Temperature
Superconductors
W. E. Pickett J. Phys. Chem. Solids 54, 1115-1122 (1993) in High Temperature Superconductors, Proc. 2nd CINVESTAV Superconductivity Symposium, edited by R. Baquero (World Scientific, Singapore, 1994), 38-45. |
Theoretical Determination that Electrons are the
Anions in Electrides: Cs^{+}(15-crown-5):e^{-}
D. J. Singh, H. Krakauer, C. Haas and W. E. Pickett Nature 365, 39-42 (1993) Phys. Rev. B 48, 14859-14867 (1993) |
Calculations of Large Electron-Phonon Coupling in
High Temperature Superconductors
H. Krakauer, W. E. Pickett and R. E. Cohen in Manifestiations of the Electron-Phonon Interaction Rev. B 47, 1002 (1993) |
Variational Monte Carlo Study of the Partially
Polarized Electron Gas
W. E. Pickett and J. Q. Broughton xxxxxxxxxxxxx |
Large Calculated Electron-Phonon Interactions in
La_{2-x}M_{x}CuO_{4}
H. Krakauer, W. E. Pickett, and R. E. Cohen From Atoms to Fractals, edited by P.J. Reynolds (Elsevier, Amsterdam, 1993), 157-165. |
Electron-Phonon Coupling in High Temperature
Superconductors: The Connection to
Superconducting Behavior
W. E. Pickett, H. Krakauer and R. E. Cohen Physica C 203, 193 (1992) |
Hydrocarbon Clusters: Building Blocks for New Materials
M. R. Pederson, K. A. Jackson, W. E. Pickett and B. M. Klein in On Clusters and Clustering: J. Phys. Chem. Solids 53, 1533 (1992) |
Electronic Characteristics of Tl_{2}Ba_{2}CuO_{6}:
Fermi Surface, Positron Wavefunction, Electric Field
Gradients and Transport Parameters
D. J. Singh and W. E. Pickett Renschler, J. J. Pouch and D. M. Cox (Mat. Res. Soc., Pittsburgh, 1992), 389-394. |
Structural Coherence, Fermi Surfaces, and
Electron-Lattice Coupling in High T_{c}
Superconductors
W. E. Pickett |
Theoretical Investigation of Fluorinated and
Hydrogenated Diamond (100) Films
M. R. Pederson and W. E. Pickett in Novel Forms of Carbon,MRS Symp. Proc. Vol. 270, edited by C. L. Superconductors, edited by Y. Bar-Yam, T. Egami,J. Mustre-de-Leon, and A. Bishop (World Scientific, Singapore, 1992) |
Theoretical Normal State Transport Properties of
K_{3}C_{60}
S. C. Erwin and W. E. Pickett Phys.Rev. B 46, 14257 (1992) Superconductors, edited by Y. Bar-Yam, T. Egami,J. Mustre-de-Leon, and A. Bishop (World Scientific, Singapore, 1992) |
Coupling of Octahedral Tilts to the Electronic Structure
in La_{2-x}(Sr,Ba)_{x}CuO_{4}
R. E. Cohen, W. E. Pickett, D. A. Papaconstantopoulos, and H. Krakauer in Proc. of Lattice Effects in High T_{c} edited by Y. Bar-Yam, T. Egami, J. Mustre-de-Leon, and A. Bishop (World Scientific, Singapore, 1992) |
Large Calculated Electron-Phonon Interactions and
Linewidths of Phonons in Lax MxCuO4
H. Krakauer, W. E. Pickett, and R. E. Cohen in Proc. of Lattice Effects in High T_{c} December (MRS, Pittsburgh, 1991) |
Zone Corner Tilts and the LTT Phase in
La_{2-x}M_{x}CuO_{4}
W. E. Pickett, R. E. Cohen, and H. Krakauer in Proc. of Lattice Effects in High T_{c} Superconductors, Mat. Sci.and Eng. B 14, 87 (1992) |
Theoretical Studies of Diamond Surface Chemistry
and Diamond-Metal Interfaces
W. E. Pickett, M. R. Pederson, K. A. Jackson, and S. C. Erwin Proc. Fall MRS Meeting, Boston edited by P. Jena et al. (Kluwer Academic, Amsterdam, 1992), 1323. (1992) |
Theoretical Electronic Structure Studies of
Diamond: Surfaces, Adsorbates, Defects, and
Heterointerfaces
W. E. Pickett, M. R. Pederson,K. A. Jackson, and S. C. Erwin Proc. 9th Intl. Conf., 105-110, 125-131 (1992) |
Electronic Structure of Fullerenes: Isolated
Molecules and Metal-Doped Crystals
M. R. Pederson, S. C. Erwin, W. E. Pickett, K. A. Jackson, and L. L. Boyer in Physics and Chemistry of Finite Systems: From Clusters to Crystals, K. R. Billingsley, H. U. Brown III and E. Derohanes (Baldwin Press, Athens, Ga., 1992), 7-19. |
Fermi Surface and Its Implications in the High
Temperature Superconductor YBa_{2}Cu_{3}O_{7}
W. E. Pickett and D. J. Singh in Positron Annihilation, |
First Principles Phonon Calculations for
La_{2}CuO_{4}
R. E. Cohen, W. E. Pickett, and H. Krakauer in Computer Assisted Modeling on the IBM 3090, edited by |
Vanishing Schottky Barriers in Diamond/Metal Interfaces
S. C. Erwin and W. E. Pickett Solid State Commun. 81, 891 (1992) |
Ternary Nitrides BiNCa_{3} and PbNCa_{3}: Unusual Ionic
Bonding in the Antiperovskite Structure
D. A. Papaconstantopoulos and W. E. Pickett Phys. Rev. B 45, 4008 (1992) High-Temperature Superconductivity, edited by J. Ashkenazi, S. E. Barnes, F. Zuo, G. C. Vezzoli, and B. M. Klein (Plenum, New York, 1991), 7 |
Theoretical Fermi Surface Properties and
Superconducting Parameters for K_{3}C_{60}
S. C. Erwin and W. E. Pickett |
Electronic Structure, Lattice Dynamics, and
Electron-Phonon Interaction in High T_{c}
Superconductors
R. E. Cohen, H. Krakauer, and W. E. Pickett |
Temperature Dependent Resistivity from Phonons in
Cuprate Superconductors
W. E. Pickett J. Supercond. 4, 397 (1991) |
Gradient Corrected Density Functional Studies of CaCuO_{2}.
D. J. Singh and W. E. Pickett, Phys. Rev. B 44, 7715 (1991) Phys. Rev.B 44, 3891 (1991) |
Lattice Instabilities, Isotope Effect, and High T_{c}
Superconductivity in La_{2-x}BaxCuO_{4}
W. E. Pickett, R. E. Cohen, and H. Krakauer Phys. Rev. Lett. 67, 228 (1991) Phys. Rev. B 44, 1258 (1991) |
Local Density Based Simulations of Hydrocarbon
Interactions with Applications to Diamond
Chemical Vapor Deposition
M. R. Pederson, K. A. Jackson,and W. E. Pickett Proc. Intl. Conf. on Manifestations of Electron-Phonon Interaction in Cu-O Superconductors, edited by R. Baquero and J. P. Carbotte (World Scientific, Singapore, 1991) |
CaNiN: Suppression of Electronic Instability by
Interchain Coupling
S. Massidda, W. E. Pickett, and M. Posternak |
Lattice Instabilities in High Temperature
Superconductors: The X-Point Tilt Energy Surface for
La_{2-x}BaxCuO_{4}
W. E. Pickett, R. E. Cohen, and H. Krakauer Phys. Rev. B 43, 11628 (1991) |
Electronic Structure of Tl-doped Sr_{2}VO_{4}: Importance
of Monovalent Tl
D. J. Singh, D. A. Papaconstantopoulos, H. Krakauer, B. M. Klein, and W. E. Pickett Physica C 175, 329-334 (1991) |
Gradient-Corrected Density Functionals: Full Potential
Calculations for Iron
D. J. Singh. W. E. Pickett, and H. Krakauer |
Diamond-Nickel Interfaces: Calculations of the
Electronic and Atomic Structure and Schottky
Barriers
S. C. Erwin and W. E. Pickett Surf. and Coatings Technol. |
Electronic Structure and Electron-Phonon Coupling
in Layered Copper Oxide Superconductors
W. E. Pickett, R. E. Cohen, and H. Krakauer Physica B 169, 45-50 (1991) |
Diamond/Metal Interfaces: Schottky Barriers and Chemical Bonding
S. C. Erwin and W. E. Pickett New Diamond Science and Technology, edited by R. Messier, J. T. Glass, J. E. Butler, and R. Roy (MRS, Pittsburgh, 1991), 957 |
Theoretical Investigations of Adsorbate Interactions
at the Diamond-Vapor Interface
M. R. Pederson, K. A. Jackson, and W. E. Pickett New Diamond Science and Technology, edited by R. Messier, J. T. Glass, J. E. Butler and R. Roy (MRS, Pittsburgh, 1991), 29. |
Energetics and Geometries of Hydrocarbon Radicals
on the Diamond Surface
M. R. Pederson, K. A. Jackson, and W. E. Pickett Proc. 20th Intl. Conf. on Physics of Semiconductors, Vol. 1, edited by E. M. Anastassakis and J. D. Joannopoulos (World Scientific, Singapore, 1990), 328-331. |
Gradient-Corrected Local Density Studies of
Group IV Semiconductors
D. Singh and W. E. Pickett Proc. 20th Intl. Conf. on the Physics of Semiconductors, Vol. 3, edited by E. M. Anastassakis and J. D. Joannopoulos (World Scientific, Singapore, 1990), 1787-1790. |
Electronic Structure and Band Lineups at the
Diamond/BN and Diamond Ni Interfaces
W. E. Pickett and S. C. Erwin Superlattices and Microstructures 7, 335-339 (1990) |
Precise Band Structure and Fermi Surface
Calculation for YBa_{2}Cu_{3}O_{7}.
W. E. Pickett, R. E. Cohen and H. Krakauer Phys. Rev. B 42, 8764 (1990) |
Lattice Statics, Dynamics, and Electron-Phonon
Coupling: First Principles Calculations for
La_{2}CuO_{4} and YBa_{2}Cu_{3}O_{7}.
W. E. Pickett,H. Krakauer, and R. E. Cohen Proc. Intl. Seminar on Theory of High Temperature Superconductors,edited by V.L. Aksenov, N.M. Plakida, and V.Yu.Yushankhai (JINR, Dubna, 1990), 20-31 |
First-Principles Supercell Studies of the Nitrogen
Impurity in Diamond
S. C. Erwin and W. E. Pickett Phys. Rev. B 42, 11056 (1990) |
Electronic Structure Studies of Diamond/Metal Interfaces.
S. C. Erwin and W. E. Pickett Atomic Scale Calculations of Structure in Materials, MRS Symp. Proc. 193, edited by M. S. Daw and M. A. Schlueter (Mat. Res. Soc., Pittsburgh, 1990), 59-64 (1990) |
Evidence of Strong Electron-Phonon Coupling in the High
T_{c} Copper Oxide Superconductors.
H. Krakauer, R. E. Cohen, and W. E. Pickett, Intl. J. Quant. Chem. QCS Symp. 24, 693-699 (1990) |
Theoretical Determination of Strong Electron-Phonon
Coupling in YBa_{2}Cu_{3}O_{7}.
R. E. Cohen, W. E. Pickett, and H. Krakauer, Phys. Rev. Lett. 64, 2575 (1990) |
Theoretical Electron-Positron Zone-Reduced Momentum Density for
YBa_{2}Cu_{3}O_{7}: Fermi Surface
and Wavefunction Effects.
D. Singh, W. E. Pickett, E. von Stetten, and S. Berko, Phys. Rev. B 42, 2696 (1990) |
Theoretical Determination of Strong Electron-Phonon
Coupling in YBa_{2}Cu_{3}O_{7}.
R. E. Cohen, W. E. Pickett, H. Lu, and H. Krakauer, Physica B 165&166, 1057 (1990) |
Quasiparticle Scattering Across the Fermi Surface in
La_{2-x}M_{x}CuO_{4}.
W. E. Pickett, H. Krakauer, and R. E. Cohen, Physica B 165&166, 1055 (1990) |
First-Principles, General Potential Local Orbital
Calculations for Bulk Crystals.
S. C. Erwin, M. R. Pederson, and W. E. Pickett, Phys. Rev. B 41, 10437 (1990) |
Adsorption of Hydrocarbon Radicals on the Hydrogenated
Diamond Surface.
M. R. Pederson,K. A. Jackson, and W. E. Pickett, Diamond, Silicon Carbide and Related Wide-Bandgap Semiconductors, MRS Symp. Proc. 162, edited by J. T. Glass, R. Messier, and N. Fujimori (Mat. Res. Soc., Bellingham,WA, 1990), 91-96. |
Electronic Properties of Diamond/Nickel and
Diamond/Boron Nitride Interfaces.
W. E. Pickett and S. C. Erwin, Diamond, Silicon Carbide and Related Wide-Bandgap Semiconductors,MRS Symp. Proc. 162, edited by J. T. Glass, R. Messier,and N. Fujimori (Mat. Res. Soc., Bellingham,WA, 1990), 35-41. |
Electronic Structure of an Ideal Diamond/Nickel (001) Interface.
W. E. Pickett and S. C. Erwin, Phys. Rev. B 41, 9756 (1990) |
Correlation in Metallic Copper Oxide Superconductors:
How Large is It?
W. E. Pickett, H. Krakauer, R. E. Cohen, D. Singh, and D. A. Papaconstantopoulos, Superconductivity and Applications, edited by H. S. Kwok, Y.-H. Kao, and D. T. Shaw (Plenum, New York, 1989), pp. 463-473. |
Magnetism in Layered Oxides: Results from Spin Density
Functional Calculations.
W. E. Pickett, R. E. Cohen, D. A. Papaconstantopoulos, and H. Krakauer, Physica B 163, 470 (1990) |
High T_{c} Superconductors as Ionic Metals and the
Role of Phonons in High T_{c} Superconductivity.
R.E. Cohen, W.E. Pickett, H. Krakauer, and D.A. Papaconstantopoulos, Phase Transitions 22, 167 (1990) |
Electronic Properties of Stoichiometric Ba and O
Overlayers Adsorbed on W(001).
L. A. Hemstreet, S. R. Chubb, and W. E. Pickett, Phys. Rev. B 40, 3592 (1989) |
Theoretical Studies of Sr_{2}VO_{4},
a Charge Conjugate Analog of
La_{2}CuO_{4}.
W. E. Pickett, D. S. Singh, D.A. Papaconstantopoulos, H. Krakauer, M. Cyrot, and F. Cyrot-Lackmann, Physica C 162-164, 1433 (1989) |
Electronic Structure of CaCuO_{2}, Parent of the High
T_{c} Superconductors.
D. J. Singh, W.E. Pickett, and H. Krakauer, Physica C 162-164, 1431 (1989) |
Electronic Structure of the Copper Oxides: Band Picture versus Correlated Behavior
W.E. Pickett, H. Krakauer, R.E. Cohen, and D. Singh Physica C 162-164, 1419 (1989) |
Studies of C-H Radicals and their Behavior Near the Hydrogenated
Diamond (111) Surface
M.R. Pederson, K.A. Jackson, and W.E. Pickett Technology Update on Diamond Films, edited by R.P.H. Chang, D. Nelson, and A. Hiraki (Mat. Res. Soc, Pittsburgh, 1989) |
Positron Annihilation in High T_{c} Superconductors
D. Singh, W.E. Pickett, R.E. Cohen, H. Krakauer, and S. Berko Phys. Rev. B 39(RC), 9667 (1989) |
The Ground State of trans-Polyacetylene and the Peierls Mechanism
J. Ashkenazi, W.E. Pickett, H. Krakauer, C.S. Wang, B.M. Klein, and S.R. Chubb Phys. Rev. Lett. 62, 2016 (1989) |
Zone-Center Raman-Active Modes in Cubic and Hexagonal Diamond
M.J. Mehl and W.E. Pickett in Raman Scattering, Luminescence and Spectroscopic Instrumentation in Technology, Proc. SPIE 1055, edited by F. Adar, J. E. Griffiths and J. M. Lerner (SPIE, Bellingham, Wash., 1989), 181-184 |
First Principles Phonon Calculations for La_{2}CuO_{4}
R.E. Cohen, W.E. Pickett, and H. Krakauer Phys. Rev. Lett. 62, 831 (1989); Erratum, ibid. 69, 863 (1992) |
Temperature Dependent Positron-Electron Momentum Densities in YBa_{2}Cu_{3}O_{7-x} by 2D ACAR
E. C. von Stetten, S. Berko, X.S. Li, L.F. Schneemeyer, J. Brynestad, D. Singh, H. Krakauer, W.E. Pickett, and R.E. Cohen in Proc. 8th Intl. Conf. on Positron Annihilation (World Scientific, Singapore, 1989), 913 |
A Tight-Binding Hamiltonian for the High-Temperature Superconductor YBa_{2}Cu_{3}O_{7}
M.J. DeWeert, D.A. Papaconstantopoulos, and W.E. Pickett in Atomic Scale Calculations in Materials Science, MRS Symp. Proc. 141, edited by J. Tersoff, D. Vanderbilt, and V. Vitek (Mat. Res. Soc., Pittsburgh,, 1989), 103 |
Accurate Tight-Binding Studies of Antiferromagnetic States in La_{2}CuO_{4}
W. E. Pickett and D. A. Papaconstantopoulos in Atomic Scale Calculations in Materials Science, MRS Symp. Proc. 141, edited by J. Tersoff, D. Vanderbilt, and V. Vitek (Mat. Res. Soc., Pittsburgh, 1989), 109 |
Electronic Structure of bcc Cr-Ru Alloys in the Region of Coexisting Antiferromagnetism and Superconductivity
D. D. Johnson and W. E. Pickett in Atomic Scale Calculations in Materials Science, MRS Symp. Proc. 141, edited by J. Tersoff, D. Vanderbilt, and V. Vitek (Mat. Res. Soc., Pittsburgh, 1989), 115 |
Electron-Phonon Coupling Strength of Specific Phonons from First Principles LAPW Calculations
H. Krakauer, R. E. Cohen, and W. E. Pickett in Atomic Scale Calculations in Materials Science, MRS Symp. Proc. 141, edited by J. Tersoff, D. Vanderbilt, and V. Vitek (Mat. Res. Soc., Pittsburgh, 1989), 165 |
First Principles Phonon Calculations for La_{2}CuO_{4}
R. E. Cohen, W. E. Pickett, and H. Krakauer in Atomic Scale Calculations in Materials Science, MRS Symp. Proc. 141, edited by J. Tersoff, D. Vanderbilt, and V. Vitek (Mat. Res. Soc., Pittsburgh, 1989), 171 |
Local Density Approximation Study of High T_{c} Superconductors
H. Krakauer, R. E. Cohen and W. E. Pickett in High T_{c} Superconductors: Electronic Structure, edited by A. Bianconi and A.Marcelli (Pergamon, New York, 1989), 31 |
Applicability of Conventional Band Theory and the Role of Phonons in High T_{c} Superconductors
R. E. Cohen, W. E. Pickett, H. Krakauer, D. Singh, D. A. Papaconstantopoulos, and P. B. Allen in High Temperature Superconductors: Magnetic Interactions, Prog. in High Temp. Superconductivity V. 17, edited by L. H. Bennett, Y. Flom, and G. C. Vezzoli (World Scientific, 1989) |
Tight-Binding Hamiltonians for High-Temperature Superconductors and Applications to CPA Calculations of the Electronic Properties of La_{2-x}Ba_{x}CuO_{4-y}
M. J. DeWeert, D. A. Papaconstantopoulos, and W. E. Pickett Phys. Rev. B 39, 4235 (1989) |
Electronic Structure and High T_{c} in the
Oxide Superconductors
B.M. Klein, W.E. Pickett, R.E. Cohen, H. Krakauer, D.A. Papaconstantopoulos, P.B. Allen, and L.L. Boyer in Chemistry of High-Temperature Superconductors II, ACS Symp. Ser. 377,edited by D. L. Nelson and T. F. George (Amer. Chem. Soc., Washington, DC, 1988), 26 |
Sulfur-induced Occupation of Delta Fe Minority Surface States in c(2x2) S/Fe(001)
S.R. Chubb and W.E. Pickett Phys. Rev. B 38, 12700 (1988) |
Calculations of the Electronic Structure of La_{2-x}M_{x}CuO_{4-y} by the Coherent Potential Approximation
D.A. Papaconstantopoulos, W.E. Pickett, and M.J. DeWeert Phys. Rev. Lett.61, 211 (1988) |
High Sensitivity of Positron to Oxygen Vacancies and to Copper-Oxygen Chain Disorder in YBa_{2}Cu_{3}O_{7-x} by 2D ACAR
E.C. von Stetten, S. Berko, X.S. Li, R.R. Lee, J. Brynestad, D. Singh, H. Krakauer, W.E. Pickett, and R.E. Cohen Phys. Rev. Lett. 60, 2198 (1988) |
A Study of the Silicon Donor States At and Near the
Interface of Superlattice GaAs/AlAs(001)
J.S. Nelson, C.Y. Fong, I.P. Batra, W.E. Pickett and B.M. Klein Phys. Rev. B 37, 10203 (1988) |
Effect of Bismuth on High T_{c} Cuprate Superconductors:
Electronic Structure of Bi_{2}Sr_{2}CaCu_{2}O_{8}
H. Krakauer and W.E. Pickett Phys. Rev. Lett. 60, 1665 (1988) |
Large Scale Calculations of Electronic Properties From Density Functional Theory Using Traditional Matrix Methods
W.E. Pickett in Proc. 3rd Int'l. Conf. on Supercomputing, edited by L.P. Kartashev and S.I. Kartashev (Intern. Supercomp. Inst., St. Petersburg, 1988), 172 |
Gap Reversal in Diamond by Epitaxy-Induced Strain
W.E. Pickett in Diamond and Diamond-like Materials Synthesis, edited by G. H. Johnson, A. R. Badzian, and M. W. Geis (Mat. Res. Soc., Pittsburgh, 1988), 69. |
Density-Functional-Based Studies of the High T_{c} Cuprates
W.E. Pickett in High-Temperature Superconductors, edited by D. W. Capone II, W. H. Butler, B. Batlogg, and C.W. Chu (Mat. Res. Soc., Pittsburgh, 1988), 7 |
First Principles Calculations of Lattice Dynamics and Ionicity in La_{2}CuO_{4} and YBa_{2}Cu_{3}O_{7}
R.E. Cohen, W.E. Pickett, H. Krakauer, and L.L. Boyer Physica C153-155,202 (1988) |
Electronic Structure and Total Energy Calculations for Oxide Perovskites and Superconductors
R.E. Cohen, L.L. Boyer, M.J. Mehl, W.E. Pickett, and H. Krakauer in Perovskite: A Structure of Great Interest to Geophysics and Materials Science, Geophysical Monograph Vol. 45, edited by A. Navrotsky (Amer. Geophys. Union, 1989), 55-66 |
Smooth Fourier Interpolation of Periodic Functions
W.E. Pickett, P.B. Allen, and H. Krakauer Phys. Rev. B 38, 2721 (1988) |
Effects of Strain on the Band Structure of Diamond
W.E. Pickett and M.J. Mehl in Micro-Optoelectronic Materials, SPIE Proc. Vol.877, edited by C. Kukkonen (SPIE, Bellingham, WA, 1988), 64 |
Tight-Binding Study of the Electronic Structure of the High Temperature Superconductor La_{2}CuO_{4}
D.A. Papaconstantopoulos, M.J. DeWeert, and W.E. Pickett in High-Temperature Superconductors, edited by M.B. Brodsky, H.L. Tuller, R.C. Dynes, and K. Kitazawa (MRS, Pittsburgh, 1988), 447 |
Lattice Dynamics and Ionicity in the High-Temperature Superconductors
R.E. Cohen, W.E. Pickett, L.L. Boyer, and H. Krakauer in High-Temperature Superconductors, edited by M.B. Brodsky, H.L. Tuller, R.C. Dynes, and K. Kitazawa (MRS, Pittsburgh, 1988), 825 |
Anisotropic Normal State Transport Properties of Oxide Superconductors Predicted from LAPW Band Structures
P.B. Allen, W.E. Pickett, and H. Krakauer in High-Temperature Superconductors, edited by M.B. Brodsky, H.L. Tuller, R.C. Dynes, and K. Kitazawa (MRS, Pittsburgh, 1988), 183 |
First Principles Study of the Electronic and Magnetic Structure of c(2x2) Sulfur Chemisorbed on Magnetic Fe(001)
S.R. Chubb and W.E. Pickett Phys. Rev. B 38, 10227 (1988) |
Analysis of Electronic Structure and Charge Density of the High-Temperature Superconductor YBa_{2}Cu_{3}O_{7}
H. Krakauer, W.E. Pickett, and R.E. Cohen J. Superconductivity 1, 111 (1988) |
Anisotropic Normal State Transport Properties Predicted and Analyzed for High T_{c} Oxide Superconductors
P.B. Allen, W.E. Pickett, and H. Krakauer Phys. Rev. B 37, 7482 (1988) |
Thin Superlattices and Band Gap Discontinuities: (110) Diamond/Boron Nitride
W.E. Pickett Phys. Rev. B 37, 1316 (1988) |
Systematic Calculations of the Band Structures of the Inert Gas Solids: Neon, Argon, Krypton and Xenon
N.C. Bacalis, D.A. Papaconstantopoulos, and W.E. Pickett Phys. Rev. B 38, 6218 (1988) |
Ionic Contributions to Lattice Instabilities and Phonon Dispersion in La_{2}CuO_{4}
R.E. Cohen, W.E. Pickett, L.L. Boyer, and H. Krakauer Phys. Rev. Lett. 60, 817 (1988) |
All-Electron Study of c(2x2) S Chemisorbed Above Magnetic Fe(001)
S.R. Chubb and W.E. Pickett J. Appl. Phys. 63, 3493 (1988) |
Electronic Properties of BaO on W(001)
L.A. Hemstreet, S.R. Chubb, and W.E. Pickett, J. Vac. Sci. Technol. A6, 1063 (1988) |
Applications of Ionic Models to the High Temperature Superconductor La_{2}CuO_{4}
R.E. Cohen, W.E. Pickett, H. Krakauer, and L.L. Boyer Physica B 150, 61 (1988) |
Composition Modulated Alloy Films: Electronic Structure and Its Relationship to Elastic Properties
W.E. Pickett in Metallic Multilayers and Epitaxy, edited by M. Hong, S. Wolf, and D. U. Gubser (The Metallurgical Soc., Bellingham, WA, 1988), 233 |
Electronic Structure of the High Temperature Superconductors
W. E. Pickett in Projects in Scientific Computing (Pittsburgh Supercomputing Center, Pittsburgh, 1987), 32 |
Review of the Berkeley Conf. on Novel Mechanisms of Superconductivity
W.E. Pickett Cryogenics 27, 717 (1987) |
First Principles Determination of the Magnetic Structure of p(1x1) O/Fe(001)
S.R. Chubb and W.E. Pickett Solid State Commun. 62, 19 (1987) |
Heavy Fermion Properties and Their Relation to Electronic Band Theory
W.E. Pickett, in Novel Superconductivity edited by S.A. Wolf and V.Z. Kresin (Plenum, New York, 1987), 233 |
Character of States near the Fermi Level in YBa_{2}Cu_{3}O_{7}
H. Krakauer and W.E. Pickett in Novel Superconductivity, edited by S.A. Wolf and V.Z. Kresin (Plenum, New York, 1987), 501 |
Predictions of Anisotropic Thermopower in La_{2-x}M_{x}CuO_{4}
P.B. Allen, W.E. Pickett, and H. Krakauer in Novel Superconductivity, edited by S.A. Wolf and V.Z. Kresin (Plenum,New York, 1987), 489 |
High Temperature Superconductors: Electronic Structure Changes due to Replacement of La with Ba and Sr in the Cu-O-based Systems
H. Krakauer, W.E. Pickett, D.A. Papaconstantopoulos, and L.L. Boyer Jpn. J. Appl. Phys. 26, 991 (1987) |
Calculations of the Superconducting Properties of Cu-O Based Perovskite-like Structures
D.A. Papaconstantopoulos, W.E. Pickett, L.L. Boyer, and H. Krakauer Jpn. J. Appl. Phys. 26, 1091 (1987) |
Band Theory Analysis of Anisotropic Transport in La_{2}CuO_{4}-based Superconductors
P.B. Allen, W.E. Pickett, and H. Krakauer Phys. Rev. B 36, 3926 (1987) |
Local Density Prediction of the Fermi Surface of UBe_{13}
M.R. Norman, W.E. Pickett, H. Krakauer, and C.S. Wang Phys. Rev. B 36, 4058 (1987) |
Electronic Structure, Bonding and Electron-Phonon Interaction in La-Ba-Cu-O Superconductors
W.E. Pickett, H. Krakauer, D.A. Papaconstantopoulos, and R.E. Cohen in High Temperature Superconductors, edited by D.U. Gubser and M. Schlüter (Mat. Res. Soc., Pittsburgh, 1987), p. 3l |
Evidence of Conventional Superconductivity in La-Ba-Cu-O Compounds
W.E. Pickett, H.Krakauer, D.A. Papaconstantopoulos, and L.L. Boyer Phys. Rev. B 35, 7252 (1987) |
Fermi Surface of UPt_{3} within the Local Density Approximation
C.S. Wang, M.R. Norman, R.C. Albers, A.M. Boring, W.E. Pickett, H. Krakauer andN.E. Christensen Phys. Rev. B 35, 7260 (1987) |
First Principles Determination of Giant Adsorption-Induced Surface Relaxation in p(1x1) O/Fe(001)
S.R. Chubb and W.E. Pickett Phys. Rev. Lett. 58, 1248 (1987) |
Electronic Structure and Magnetic Effects at the Ideal (110) Fe/Ge Interface
W.E. Pickett and D.A. Papaconstantopoulos J. Appl. Phys. 61, 3735 (1987) |
Relationship of Band Theory to Heavy Fermion Behavior
W.E. Pickett in Electronic Band Structure and its Applications, Lecture Notes Series Vol.283, edited by M. Yussouff (Springer-Verlag, Heidelberg, 1987), 120-133 |
First Principles Investigation of the Validity of the Peierls Mechanism for the
Dimerization Energy of trans-Polyacetylene
J. Ashkenazi, W.E. Pickett, H. Krakauer, C.S. Wang and B.M. Klein Synthetic Metals 21, 301-304 (1987) |
Electronic Structure and Interface States of the (110) Fe/Ge Interface
W.E. Pickett and D.A. Papaconstantopoulos in The Physics of Semiconductors, edited by Olof Engstrom (World Scientific, Singapore, 1987), p. 351 |
Theory of F-Centers in the Alkaline-Earth Oxides MgO and CaO
B.M. Klein, W.E. Pickett and R. Zeller Phys. Rev. B 35, 5802 (1987) |
Effect of Electron-Phonon Interaction on Spin Susceptibility in A15 Compounds
B. Mitrovic and W.E. Pickett Phys. Rev. B 35, 3415 (1987) |
A Quasi-Ion Approach to Lattice Dynamics and Electron-Phonon Interaction with Applications
C. Falter, W. Ludwig, M. Selmke and W.E. Pickett J. Phys. C 20, 501 (1987) pdf |
Unconventional Superconductivity and Normal State Properties in the Heavy Fermion
Superconductor UPt_{3}
C.S. Wang, H. Krakauer and W.E. Pickett J. Phys. F16, L287 (1986) |
Electronic Structure of the Fe/Ge (110) Interface
W.E. Pickett and D.A. Papaconstantopoulos Phys. Rev. B 34, 8372 (1986) |
Electron-Phonon Interaction in UBe_{13}: Evidence for Unconventional Superconductivity
W.E. Pickett, H. Krakauer and C.S. Wang Phys. Rev. B 34, 6546 (1986) |
A Local Density Theory for Dynamical Correlation Corrections to Single Particle Excitations in Semiconductors
W.E. Pickett and C.S. Wang Int. J. Quant. Chem: QC Symp. 20, 299 (1986) |
Electronic Structure of the Carbon Vacancy in NbC
W.E. Pickett, B.M. Klein and R. Zeller Phys. Rev. B 34, 2517 (1986) |
Density Functional in Solids: II. Excited States
W. E. Pickett Comments on Solid State Physics 12, 57 (1986) |
Density Functionals in Solids: I. Ground State
W.E. Pickett Comments on Solid State Physics 12, 1 (1985) |
60. Electronic Structure and Mass Enhancement of the Heavy Fermion Superconductor: UPt_{3}
C.S. Wang, H. Krakauer and W.E. Pickett Physica 135B, 34 (1985) |
59. Electronic Structure Study of the Heavy Fermion Superconductor UBe_{13}
W.E. Pickett, H. Krakauer and C.S. Wang Physica 135B, 31 (1985) |
58. High Temperature Superconductivity for MoN? A Theoretical Study of the Relative Stability of Hexagonal and Cubic MoN
L.L. Boyer, H. Krakauer, B.M. Klein, W.E. Pickett and C.S. Wang Physica 135B, 252 (1985) |
57. A Mechanism for Giant Enhancements due to Defects in Low Density of States Metals
W.E.Pickett and B.M. Klein Phys. Rev. B 31, 6273 (1985) |
56. Effect of Disorder on High Temperature Superconductivity in Cubic MoN
D.A. Papaconstantopoulos and W.E. Pickett Phys. Rev. B 31, 7093 (1985) |
55. Electronic Properties of the Transition Metal Nitrides. The Group VI Nitrides CrN, MoN and WN
D.A. Papaconstantopoulos, W.E. Pickett, B.M. Klein and L.L. Boyer Phys. Rev. B 31, 752 (1985) |
54. Energy Band Gap in Quasiparticle Local Density Theory
C.S. Wang and W.E. Pickett in Proc. 17th Int. Conf. on the Physics of Semiconductors (Springer-Verlag, New York, 1984), p. 993 |
53. Electron Energy Spectrum and de Haas-van Alphen Effect in Ordered Cd_{3}Mg
V.V. Khotkevich, V.B. Pluzhnikov, J.V. Svechkarev, G.E. Grechnev, J.R. Anderson and W.E. Pickett Ukr. J. Low Temp. Phys. 10, 431 (1984) |
52. Theoretical Studies of Hydrogen Impurities in Palladium and Hydrogen Vacancies in PdH Using the Muffin-Tin Green's Function Method
B.M. Klein and W.E. Pickett J. Less-Common Metals 103 |
51. Superconductivity in Transition Metal Nitrides
D.A. Papaconstantopoulos, W.E. Pickett, B.M. Klein and L.L. Boyer Nature 308, 494 (1984) |
50. Local Density Approximation for Dynamical Correlation Corrections to Single Particle Excitations in Insulators
W.E. Pickett and C.S. Wang Phys. Rev. B 30, 4719 (1984) |
49. Electronic Structure of the Ideal Silicon Vacancy by the Muffin-Tin
Green's Function Method
W.E. Pickett and B.M. Klein Solid State Commun. 50, 605 (1984) |
48. Muffin-Tin Green's Function Theory of Defects in Aluminum
B.M. Klein and W.E. Pickett Phys. Rev. B 29, 1597-1605 (1984) |
47. Extension of the Muffin-Tin Green's Function Theory of Defects. Application to Defects in Aluminum
W.E. Pickett and B.M. Klein Phys. Rev. B 29, 1588-1596 (1984) |
46. Density Functional Theory of Excitation Spectra of Semiconductors:
Application to Si
C.S. Wang and W.E. Pickett Phys. Rev. Lett. 51, 597 (1983) |
45. On The Electronic Structure of CeN and CeAl_{2}
W.E. Pickett and B.M. Klein J. Less-Common Metals 93, 219 (1983) |
44. Theoretical Study of Optical Absorption in Hydrogenated Amorphous Silicon
W.E. Pickett, D.A. Papaconstantopoulos and E.N. Economou Phys. Rev. B 28, 2232 (1983) |
43. Electronic Structure, Superconductivity and Magnetism in the C15 Compounds ZrV_{2}, ZrFe_{2} and ZrCo_{2}
B.M. Klein, W.E. Pickett, D.A. Papaconstantopoulos and L.L. Boyer Phys. Rev. B 27,6721 (1983) |
42. Theory of the Normal State Heat Capacity of Nb_{3}Sn
W.E. Pickett and B.M. Klein inSuperconductivity in d- and f- Band Metals, edited by W. Bückel and W. Weber (Kernforschungszentrum, Karlsruhe, 1982), 97 |
41. Rigid Muffin-Tin Calculations of the Superconductivity in d- and f-Band Metals
B.M. Klein and W.E. Pickett in Superconductivity in d- and f-Band Metals, edited by W. Bückel and W. Weber(Kernforschungszentrum, Karlsruhe, 1982), 477 |
40. Symmetric Relaxation of the Hydrogen-Saturated Silicon Vacancy
W.E. Pickett Phys. Rev. B 26,5650 (1982) |
39. Theoretical Studies of Hydrogen Interstitials in AB_{2}
Structure Laves Phase Compounds
B.M. Klein and W.E Pickett J. Less-Common Metals 88, 231 (1982) |
38. Theoretical Studies of Dilute Hydrogen Impurities in Palladium
B.M. Klein and W.E. Pickett inProc. Int. Symp. on the Electronic Structure and Properties of Hydrogen in Metals, March 4-6, 1982 |
37. Relationship Between the Electronic Structure of Coherent Composition ModulatedAlloys and the Supermodulus Effect
W.E. Pickett J. Phys. F 12, 2195 (1982) |
36. The Thermal Distribution Function in the Presence of Interactions
W.E. Pickett Phys. Rev. Lett.48, 1548 (1982) |
35. Generalization of the Theory of Electron-Phonon Interactions: Thermodynamic Formulation of Superconducting and Normal State Properties
W.E. Pickett Phys. Rev. B 26, 1186 (1982) |
34. Transferability and the Electron-Phonon Interaction: A Reinterpretation of theRigid Muffin-Tin Approximation
W.E. Pickett Phys. Rev. B 25, 745 (1982) |
33. Calculations of Transport Properties in a-Si:H
W.E. Pickett, D.A. Papaconstantopoulos and E.N. Economou J. Physique (Paris) 42, C4-769 (1981) |
32. Self-Consistent Electronic Structure of a Vacancy in Aluminum
B. Chakraborty, R.W. Seigel and W.E. Pickett Phys. Rev. B 24, 5445 (1981) |
31. Parameter-Free Calculation of the Enhanced Spin Susceptibility of Nb_{3}Sn Including Electron-Phonon Effects
W.E. Pickett Physica B+C 108, 703 (1981) |
30. Theoretical Prediction of MoN as a High T_{c} Superconductor
W.E. Pickett, B.M. Klein and D.A. Papaconstantopoulos Physica B+C 108, 667 (1981) |
29. Electron-Phonon Interaction in the f-Band Metals La, Ce and Th: Electronic Aspects Including the Spin-Orbit Interaction
W.E. Pickett Physica B 111, 1 (1981) |
28. Theoretical Study of the Hydrogen-Saturated Ideal Silicon Vacancy
W.E. Pickett Phys. Rev. B 23,6603 (1981) |
27. Influence of Electronic Structure on Superconducting Properties of Complex Crystals: Theory and Application to Nb_{3}Sn
W.E. Pickett and B.M. Klein Solid State Commun. 38, 95 (1981) |
26. Local Density Functional Approach to the Isostructural gamma-to-alpha
Transition in Cerium Using the Self-Consistent Linearized Augmented Plane Wave Method
W.E. Pickett, A.J. Freeman and D.D. Koelling Phys. Rev. B 23, 1266 (1981) |
25. Self-Consistent Linearized Augmented Plane Wave Study of the
Electronic Structure and Superconductivity of fcc Lanthanum Under Pressure
W.E. Pickett, A.J. Freeman and D.D. Koelling Phys. Rev. B 22, 2695 (1980). [Erratum: B 23, 5651 (1981)] |
24. f-Electron Bonding, Electronic Structure and Phase Transitions in Lanthanum and Cerium
W.E. Pickett, A.J. Freeman and D.D. Koelling Physica 102B, 341 (1980) |
23. A Linearized Relativistic Augmented-Plane-Wave Method Utilizing
Approximate Pure Spin Basis Functions
A.H. MacDonald, W.E. Pickett and D.D. Koelling J. Phys. C13, 2675 (1980) |
22. Theoretical Evidence for an Electronically Driven Isostructural Phase Transition in fcc Lanthanum
W.E. Pickett, A.J. Freeman and D.D. Koelling in Superconductivity in d- and f- Band Metals, edited by H. Suhl and M.B. Maple (Academic, New York, 1980), 99 |
21. On The Electronic Structure of A15 Compounds
W.E. Pickett in Superconductivity in d- and f- Band Metals, edited by H. Suhl and M. B. Maple (Academic, New York, 1980), 77 |
20. The Effect of a Varying Density of States on Superconductivity
W.E. Pickett Phys. Rev. B 21, 3897 (1980) |
19.Theory of the Hydrogen Interstitial Impurity in Germanium
W.E. Pickett, M.L. Cohen and C. Kittel Phys. Rev. B 20, 5050 (1979). [Erratum: B 22, 3135 (1980)] |
18. The Generalized Pseudoatom Potential in Solids: Relation to Screening and Lattice Dynamics
W.E. Pickett J. Phys. C12, 1491 (1979) |
17. Electronic Structure of Nb_{3}Ge and Nb_{3}Al from Self-Consistent Pseudopotentials II. Bonding, Electronic Charge Distributions and
Structural Transformation
K.M. Ho, W.E. Pickett and M.L. Cohen Phys. Rev. B 19, 1751 (1979) |
16. Electronic Structure of Nb_{3}Ge and Nb_{3}Al from Self-Consistent Pseudopotentials I. Band Structure and Density of States
W.E. Pickett, K.M. Ho and M.L. Cohen Phys. Rev. B 19, 1734 (1979) |
15. Maximum Superconducting Transition Temperatures in A15 Compounds
K.M. Ho, M.L. Cohen and W.E. Pickett Phys. Rev. Lett. 41, 815 (1978) |
14.The Self-Consistent Electronic Structure of (110) Ge-ZnSe
W.E. Pickett and M.L. Cohen Phys. Rev. B 18, 939 (1978) |
13. Anomalous Resistivities of A15 Metals - Insights from
Band Theory
P.B. Allen, W.E. Pickett, K.M. Ho and M.L. Cohen Phys. Rev. Lett. 40, 1532 (1978) |
12. Metallic Bonding and the Character of Electronic States in Nb_{3}Ge and Nb_{3}Al
K.M. Ho, W.E. Pickett and M.L. Cohen Phys. Rev. Lett. 41, 580 (1978) |
11. Theoretical Trends in the Abrupt (110) Ge-GaAs, AlAs-GaAs and Ge-ZnSe Interfaces
W.E. Pickett and M.L. Cohen J. Vac. Sci. Technol. 15, 1437 (1978) |
10. Self-Consistent Calculations of Interface States and Electronic Structure of the (110) Interfaces of
Ge-GaAs and AlAs-GaAs
W.E. Pickett, S.G. Louie and M.L. Cohen Phys. Rev. B 17, 815 (1978) |
9. Theoretical Study of Relaxation at the (110) Ge-GaAs Interface
W.E. Pickett and M.L. Cohen Solid State Commun. 25, 225 (1978) |
8. The Ge-GaAs (110) Interface: A Self-Consistent Calculation of Interface States
and Electronic Structure
W.E. Pickett, S.G. Louie and M.L. Cohen Phys. Rev. Lett. 39, 109 (1977) |
7.Superconductivity and Phonon Softening: III Relation Between Electron Bands
and Phonons in Nb, Mo and Their Alloys
W.E. Pickett and P.B. Allen Phys. Rev. B 16, 3127 (1977) |
6. Theory of Lattice Dynamics of Strong Coupling Systems in
Rigid Muffin-Tin Approximation
W.E. Pickett and B.L. Gyorffy in Superconductivity in d- and f- Band Metals, edited by D.H. Douglass (Plenum,New York, 1976), p. 251 |
5. Density of States, Optical Mass and dc Electrical Resistivity of
Ta, W, Nb, Mo Using Slater-Koster Interpolation
B. Chakraborty, W.E. Pickett and P.B. Allen Rev. B 14, 3227 (1976) |
4. Quasiparticle Interactions in the Optical Properties of Nb and Mo
W.E. Pickett and P.B. Allen Phys. Rev. B 13, 1473 (1976) |
3. Anharmonicity as an Explanation for Anomalous Resistance of
High-T_{c} Superconductors
P.B. Allen, J.C.K. Hui, W.E. Pickett, C.M. Varma and Z. Fisk Solid State Commun. 18, 1157 (1976) |
2. Density of States of Nb and Mo Using Slater-Koster Interpolation
W.E. Pickett and P.B. Allen Phys. Lett. 48A, 91 (1974) |
1. Optical Properties of Nb_{3}Sn:
A Probe of the Electronic Density of States
W.E. Pickett and P.B. Allen Solid State Commun. 12, 677 (1973) |