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Results:
1-22
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Results: 22
Authors:
Berne, C
Pasturel, A
Vinet, B
Citation: C. Berne et al., Germination and selection of phases in refractory metals and alloys - Experimental approach with drop tube and theoretical approach with first-principles calculations, J PHYS IV, 11(PR6), 2001, pp. 179-186
Authors:
Colinet, C
Pasturel, A
Citation: C. Colinet et A. Pasturel, Phase stability and electronic structure in ZrAl3 compound, J ALLOY COM, 319(1-2), 2001, pp. 154-161
Authors:
Incze, A
Pasturel, A
Chatillon, C
Citation: A. Incze et al., Ab initio study of graphite prismatic surfaces, APPL SURF S, 177(4), 2001, pp. 221-225
Authors:
Incze, A
Pasturel, A
Chatillon, C
Citation: A. Incze et al., First-principles study of the atomic oxygen adsorption on the (0001) graphite surface and dissolution, APPL SURF S, 177(4), 2001, pp. 226-229
Authors:
Jomard, G
Pasturel, A
Citation: G. Jomard et A. Pasturel, On the effect of oxygen adsorption on the interlayer relaxation of the Zr(0001) surface, APPL SURF S, 177(4), 2001, pp. 230-237
Authors:
Colinet, C
Pasturel, A
Citation: C. Colinet et A. Pasturel, Phase stability and electronic structure of the HfAl3 compound - art. no. 205102, PHYS REV B, 6420(20), 2001, pp. 5102
Authors:
Jobic, S
Brec, R
Pasturel, A
Koo, HJ
Whangbo, MH
Citation: S. Jobic et al., Theoretical study of possible iridium ditelluride phases attainable under high pressure, J SOL ST CH, 162(1), 2001, pp. 63-68
Authors:
Berne, C
Pasturel, A
Sluiter, M
Vinet, B
Citation: C. Berne et al., Ab initio study of transitory metastable phases solidified by drop-tube processing, MODEL SIM M, 8(3), 2000, pp. 233-237
Authors:
Bouchet, J
Siberchicot, B
Jollet, F
Pasturel, A
Citation: J. Bouchet et al., Equilibrium properties of delta-Pu: LDA+U calculations (LDA equivalent to local density approximation), J PHYS-COND, 12(8), 2000, pp. 1723-1733
Authors:
Colinet, C
Pasturel, A
Citation: C. Colinet et A. Pasturel, Electronic theory of phase stability in substitutional alloys: applicationto the Au-Ni system, J ALLOY COM, 296(1-2), 2000, pp. 6-19
Authors:
Jomard, G
Petit, T
Magaud, L
Pasturel, A
Kresse, G
Hafner, J
Citation: G. Jomard et al., Oxygen adsorption on Zr(0001): An ab initio study, MOL SIMULAT, 24(1-3), 2000, pp. 111-129
Authors:
Magaud, L
Pasturel, A
Jure, L
Mallet, P
Veuillen, JY
Citation: L. Magaud et al., In, Sn dimers on Si(100)2x1 surface: ab initio calculations and STM experiments, SURF SCI, 454, 2000, pp. 489-493
Authors:
Capron, N
Carniato, S
Lagraa, A
Boureau, G
Pasturel, A
Citation: N. Capron et al., Local density approximation and generalized gradient approximation calculations for oxygen and silicon vacancies in silica, J CHEM PHYS, 112(21), 2000, pp. 9543-9548
Authors:
Drchal, V
Pasturel, A
Monnier, R
Kudrnovsky, J
Weinberger, P
Citation: V. Drchal et al., Theory of surface segregation in metallic alloys: The generalized perturbation method, COMP MAT SC, 15(2), 1999, pp. 144-168
Authors:
Magaud, L
Sferco, SJ
Pasturel, A
Citation: L. Magaud et al., Atomic structure of the c(2x2) Si/Cu(110) surface alloy from ab initio calculation, PHYS REV B, 60(8), 1999, pp. 6034-6038
Authors:
Jomard, G
Petit, T
Magaud, L
Pasturel, A
Citation: G. Jomard et al., First-principles investigation of the Zr (0001) surface structure, PHYS REV B, 60(23), 1999, pp. 15624-15627
Authors:
Jomard, G
Petit, T
Pasturel, A
Magaud, L
Kresse, G
Hafner, J
Citation: G. Jomard et al., First-principles calculations to describe zirconia pseudopolymorphs, PHYS REV B, 59(6), 1999, pp. 4044-4052
Authors:
Le Bacq, O
Willaime, F
Pasturel, A
Citation: O. Le Bacq et al., Unrelaxed vacancy formation energies in group-IV elements calculated by the full-potential linear muffin-tin orbital method: Invariance with crystal structure, PHYS REV B, 59(13), 1999, pp. 8508-8515
Authors:
Berne, C
Pasturel, A
Sluiter, M
Vinet, B
Citation: C. Berne et al., Ab initio study of metastability in refractory metal based systems, PHYS REV L, 83(8), 1999, pp. 1621-1623
Authors:
Petit, T
Jomard, G
Lemaignan, C
Bigot, B
Pasturel, A
Citation: T. Petit et al., Location of krypton atoms in uranium dioxide, J NUCL MAT, 275(1), 1999, pp. 119-123
Authors:
Capron, N
Carniato, S
Boureau, G
Pasturel, A
Citation: N. Capron et al., Study of oxygen vacancies in silica using ultra soft pseudopotentials, J NON-CRYST, 245, 1999, pp. 146-149
Authors:
Colinet, C
Pasturel, A
Citation: C. Colinet et A. Pasturel, Theoretical calculation of the Cu-Ni, Ag-Ni and Au-Ni miscibility gaps, Z METALLKUN, 89(12), 1998, pp. 863-867
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