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Results:
1-23
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Results: 23
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
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
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
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
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
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
Authors:
Lekka, CE
Papanicolaou, NI
Evangelakis, GA
Papaconstantopoulos, DA
Citation: Ce. Lekka et al., Transferability of Slater-Koster parameters, J PHYS CH S, 62(4), 2001, pp. 753-760
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
Authors:
Papaconstantopoulos, DA
Mazin, II
Hathaway, KB
Citation: Da. Papaconstantopoulos et al., Stabilization of itinerant (band) magnetism in FeAl by Ga substitution forAl, J APPL PHYS, 89(11), 2001, pp. 6889-6891
Authors:
Mazin, II
Papaconstantopoulos, DA
Singh, DJ
Citation: Ii. Mazin et al., Tight-binding Hamiltonians for Sr-filled ruthenates: Application to the gap anisotropy and Hall coefficient in Sr2RuO4, PHYS REV B, 61(8), 2000, pp. 5223-5228
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
Authors:
Papanicolaou, NI
Kallinteris, GC
Evangelakis, GA
Papaconstantopoulos, DA
Citation: Ni. Papanicolaou et al., Second-moment interatomic potential for aluminum derived from total-energycalculations and molecular dynamics application, COMP MAT SC, 17(2-4), 2000, pp. 224-229
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
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
Authors:
Ardelean, H
Belin-Ferre, E
Senemaud, C
Papaconstantopoulos, DA
Citation: H. Ardelean et al., Calculation of the densities of states of a-Si1-yCy(: H) alloys and comparison with measured X-ray spectra, J NON-CRYST, 261(1-3), 2000, pp. 218-225
Authors:
Papaconstantopoulos, DA
Hathaway, KB
Citation: Da. Papaconstantopoulos et Kb. Hathaway, Predictions of magnetism in transition metal aluminides, J APPL PHYS, 87(9), 2000, pp. 5872-5874
Authors:
Fournee, V
Mazin, I
Papaconstantopoulos, DA
Belin-Ferre, E
Citation: V. Fournee et al., Electronic structure calculations of Al-Cu alloys: comparison with experimental results on Hume-Rothery phases, PHIL MAG B, 79(2), 1999, pp. 205-221
Authors:
Canto, G
de Coss, R
Papaconstantopoulos, DA
Citation: G. Canto et al., Electronic local density of states for the TiNi(001) surface, SURF REV L, 6(5), 1999, pp. 719-723
Authors:
Jimenez, VM
Lassaletta, G
Fernandez, A
Espinos, JP
Yubero, F
Gonzalez-Elipe, AR
Soriano, L
Sanz, JM
Papaconstantopoulos, DA
Citation: Vm. Jimenez et al., Resonant photoemission characterization of SnO, PHYS REV B, 60(15), 1999, pp. 11171-11179
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
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
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
Authors:
Sigalas, MM
Rose, JH
Papaconstantopoulos, DA
Shore, HB
Citation: Mm. Sigalas et al., Scaling lengths of elemental metals, PHYS REV B, 58(20), 1998, pp. 13438-13441
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