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Results: 1-19 |
Results: 19
Transferable tight-binding parameters for ferromagnetic and paramagnetic iron
Authors: Bacalis, NC Papaconstantopoulos, DA Mehl, MJ Lach-Hab, M
Citation: Nc. Bacalis et al., Transferable tight-binding parameters for ferromagnetic and paramagnetic iron, PHYSICA B, 296(1-3), 2001, pp. 125-128
Tight-binding Hamiltonians for realistic electronic structure calculations
Authors: Papaconstantopoulos, DA Lach-Hab, M Mehl, MJ
Citation: Da. Papaconstantopoulos et al., Tight-binding Hamiltonians for realistic electronic structure calculations, PHYSICA B, 296(1-3), 2001, pp. 129-137
Precise tight-binding description of the band structure of MgB2 - art. no.172510
Authors: Papaconstantopoulos, DA Mehl, MJ
Citation: Da. Papaconstantopoulos et Mj. Mehl, Precise tight-binding description of the band structure of MgB2 - art. no.172510, PHYS REV B, 6417(17), 2001, pp. 2510
Effects of C, Cu, and Be substitutions in superconducting MgB2 - art. no. 140509
Authors: Mehl, MJ Papaconstantopoulos, DA Singh, DJ
Citation: Mj. Mehl et al., Effects of C, Cu, and Be substitutions in superconducting MgB2 - art. no. 140509, PHYS REV B, 6414(14), 2001, pp. 0509
Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations - art. no. 224106
Authors: Mishin, Y Mehl, MJ Papaconstantopoulos, DA Voter, AF Kress, JD
Citation: Y. Mishin et al., Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations - art. no. 224106, PHYS REV B, 6322(22), 2001, pp. 4106
Dynamical properties of Au from tight-binding molecular-dynamics simulations - art. no. 195101
Authors: Kirchhoff, F Mehl, MJ Papanicolaou, NI Papaconstantopoulos, DA Khan, FS
Citation: F. Kirchhoff et al., Dynamical properties of Au from tight-binding molecular-dynamics simulations - art. no. 195101, PHYS REV B, 6319(19), 2001, pp. 5101
Applications of the NRL tight-binding method to magnetic systems
Authors: Mehl, MJ Papaconstantopoulos, DA Mazin, II Bacalis, NC Pickett, WE
Citation: Mj. Mehl et al., Applications of the NRL tight-binding method to magnetic systems, J APPL PHYS, 89(11), 2001, pp. 6880-6882
Tight-binding study of stacking fault energies and the Rice criterion of ductility in the fcc metals
Authors: Mehl, MJ Papaconstantopoulos, DA Kioussis, N Herbranson, M
Citation: Mj. Mehl et al., Tight-binding study of stacking fault energies and the Rice criterion of ductility in the fcc metals, PHYS REV B, 61(7), 2000, pp. 4894-4897
Occupation-number broadening schemes: Choice of "temperature"
Authors: Mehl, MJ
Citation: Mj. Mehl, Occupation-number broadening schemes: Choice of "temperature", PHYS REV B, 61(3), 2000, pp. 1654-1657
Calculation of electronic, structural, and vibrational properties in alkali halides using a density-functional method with localized densities
Authors: Mei, WN Boyer, LL Mehl, MJ Ossowski, MM Stokes, HT
Citation: Wn. Mei et al., Calculation of electronic, structural, and vibrational properties in alkali halides using a density-functional method with localized densities, PHYS REV B, 61(17), 2000, pp. 11425-11431
Site selectivity and bonding in the beta-phase aluminides: Studies of RuAl, PdAl, and Pd and Ru dopants in NiAl
Authors: Daniel, M Balasubramanian, M Brewe, D Mehl, MJ Pease, D Budnick, JI
Citation: M. Daniel et al., Site selectivity and bonding in the beta-phase aluminides: Studies of RuAl, PdAl, and Pd and Ru dopants in NiAl, PHYS REV B, 61(10), 2000, pp. 6637-6644
Energetic, vibrational, and electronic properties of silicon using a nonorthogonal tight-binding model
Authors: Bernstein, N Mehl, MJ Papaconstantopoulos, DA Papanicolaou, NI Bazant, MZ Kaxiras, E
Citation: N. Bernstein et al., Energetic, vibrational, and electronic properties of silicon using a nonorthogonal tight-binding model, PHYS REV B, 62(7), 2000, pp. 4477-4487
Calculation of polarization using a density functional method with localized charge
Authors: Boyer, LL Stokes, HT Mehl, MJ
Citation: Ll. Boyer et al., Calculation of polarization using a density functional method with localized charge, PHYS REV L, 84(4), 2000, pp. 709-712
Electronic structure calculations of PbTe
Authors: Lach-hab, M Keegan, M Papaconstantopoulos, DA Mehl, MJ
Citation: M. Lach-hab et al., Electronic structure calculations of PbTe, J PHYS CH S, 61(10), 2000, pp. 1639-1645
Interatomic potentials for monoatomic metals from experimental data and abinitio calculations
Authors: Mishin, Y Farkas, D Mehl, MJ Papaconstantopoulos, DA
Citation: Y. Mishin et al., Interatomic potentials for monoatomic metals from experimental data and abinitio calculations, PHYS REV B, 59(5), 1999, pp. 3393-3407
Transferable potential for carbon without angular terms
Authors: Broughton, JQ Mehl, MJ
Citation: Jq. Broughton et Mj. Mehl, Transferable potential for carbon without angular terms, PHYS REV B, 59(14), 1999, pp. 9259-9270
Ab initio calculation of spin gap behavior in CaV4O9
Authors: Hellberg, CS Pickett, WE Boyer, LL Stokes, HT Mehl, MJ
Citation: Cs. Hellberg et al., Ab initio calculation of spin gap behavior in CaV4O9, J PHYS JPN, 68(11), 1999, pp. 3489-3492
Ab initio based tight-binding hamiltonian for the dissociation of molecules at surfaces
Authors: Gross, A Scheffler, M Mehl, MJ Papaconstantopoulos, DA
Citation: A. Gross et al., Ab initio based tight-binding hamiltonian for the dissociation of molecules at surfaces, PHYS REV L, 82(6), 1999, pp. 1209-1212
Second-moment interatomic potential for Cu-Au alloys based on total-energycalculations and its application to molecular-dynamics simulations
Authors: Papanicolaou, NI Kallinteris, GC Evangelakis, GA Papaconstantopoulos, DA Mehl, MJ
Citation: Ni. Papanicolaou et al., Second-moment interatomic potential for Cu-Au alloys based on total-energycalculations and its application to molecular-dynamics simulations, J PHYS-COND, 10(48), 1998, pp. 10979-10990
Risultati: 1-19 |