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1.
Vacancies and impurities in aluminum and magnesium.
Chetty N; Weinert M; Rahman TS; Davenport JW.
Phys Rev B Condens Matter ; 52(9): 6313-6326, 1995 Sep 01.
Article in English | MEDLINE | ID: mdl-9981861
2.
Ab initio study of polytetrahedral packing: The Al-Mg system.
Narasimhan S; Davenport JW.
Phys Rev B Condens Matter ; 51(1): 659-662, 1995 Jan 01.
Article in English | MEDLINE | ID: mdl-9977142
3.
Cu/Pd multilayers: An atomistic structural study.
Fernando GW; Mei J; Watson RE; Weinert M; Davenport JW.
Phys Rev B Condens Matter ; 47(20): 13636-13642, 1993 May 15.
Article in English | MEDLINE | ID: mdl-10005677
4.
Electronic structure and magnetic coupling in copper oxide superconductors.
Wang YJ; Newton MD; Davenport JW.
Phys Rev B Condens Matter ; 46(18): 11935-11951, 1992 Nov 01.
Article in English | MEDLINE | ID: mdl-10003091
5.
Free-energy calculations and the melting point of Al.
Mei J; Davenport JW.
Phys Rev B Condens Matter ; 46(1): 21-25, 1992 Jul 01.
Article in English | MEDLINE | ID: mdl-10002178
6.
Fractional occupations and density-functional energies and forces.
Weinert M; Davenport JW.
Phys Rev B Condens Matter ; 45(23): 13709-13712, 1992 Jun 15.
Article in English | MEDLINE | ID: mdl-10001466
7.
First-order perturbation calculations for transition-metal atoms and ions.
Mei J; Davenport JW.
Phys Rev A ; 45(3): 1497-1501, 1992 Feb 01.
Article in English | MEDLINE | ID: mdl-9907131
8.
Analytic embedded-atom potentials for fcc metals: Application to liquid and solid copper.
Mei J; Davenport JW; Fernando GW.
Phys Rev B Condens Matter ; 43(6): 4653-4658, 1991 Feb 15.
Article in English | MEDLINE | ID: mdl-9997834
9.
Local-density approximation: Cohesion in the transition metals and s-->d promotion in the transition-metal atoms.
Watson RE; Fernando GW; Weinert M; Wang YJ; Davenport JW.
Phys Rev B Condens Matter ; 43(2): 1455-1462, 1991 Jan 15.
Article in English | MEDLINE | ID: mdl-9997396
10.
Molecular-dynamics study of self-diffusion in liquid transition metals.
Mei J; Davenport JW.
Phys Rev B Condens Matter ; 42(15): 9682-9684, 1990 Nov 15.
Article in English | MEDLINE | ID: mdl-9995208
11.
Electronic structure of NiAl.
Lui S; Davenport JW; Plummer EW; Zehner DM; Fernando GW.
Phys Rev B Condens Matter ; 42(3): 1582-1597, 1990 Jul 15.
Article in English | MEDLINE | ID: mdl-9995587
12.
Cohesion and lattice stabilities in the 5d transition metals: Full versus muffin-tin potentials.
Fernando GW; Watson RE; Weinert M; Wang YJ; Davenport JW.
Phys Rev B Condens Matter ; 41(17): 11813-11821, 1990 Jun 15.
Article in English | MEDLINE | ID: mdl-9993630
13.
Relativistic effects on the s-->d promotion energy and spin-polarization energy of the transition metals.
Wang YJ; Davenport JW.
Phys Rev A ; 41(9): 4690-4695, 1990 May 01.
Article in English | MEDLINE | ID: mdl-9903687
14.
First-principles calculation of the activation energy for diffusion in liquid sodium.
Qian GX; Weinert M; Fernando GW; Davenport JW.
Phys Rev Lett ; 64(10): 1146-1149, 1990 Mar 05.
Article in English | MEDLINE | ID: mdl-10041311
15.
First-principles molecular dynamics for metals.
Fernando GW; Qian GX; Weinert M; Davenport JW.
Phys Rev B Condens Matter ; 40(11): 7985-7988, 1989 Oct 15.
Article in English | MEDLINE | ID: mdl-9991233
16.
Full-potential linear augmented-Slater-type-orbital method.
Fernando GW; Davenport JW; Watson RE; Weinert M.
Phys Rev B Condens Matter ; 40(5): 2757-2766, 1989 Aug 15.
Article in English | MEDLINE | ID: mdl-9992204
17.
Adsorbed layer and multilayer materials: The energetics and bonding of Pd and Ag on Nb(001) and Nb(110).
Weinert M; Watson RE; Davenport JW; Fernando GW.
Phys Rev B Condens Matter ; 39(17): 12585-12597, 1989 Jun 15.
Article in English | MEDLINE | ID: mdl-9948125
18.
Energetics of transition-metal alloy formation: Ti, Zr, and Hf alloyed with the heavier 4d and 5d elements.
Watson RE; Weinert M; Davenport JW; Fernando GW.
Phys Rev B Condens Matter ; 39(15): 10761-10769, 1989 May 15.
Article in English | MEDLINE | ID: mdl-9947886
19.
Experimental band structure of Cu3Au.
Wang ZQ; Wu SC; Quinn J; Lok CK; Li YS; Jona F; Davenport JW.
Phys Rev B Condens Matter ; 38(11): 7442-7447, 1988 Oct 15.
Article in English | MEDLINE | ID: mdl-9945469
20.
Structural stability of rhenium as a function of lattice compression: Theory.
Watson RE; Davenport JW; Weinert M; Fernando G.
Phys Rev B Condens Matter ; 38(11): 7817-7819, 1988 Oct 15.
Article in English | MEDLINE | ID: mdl-9945515
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