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1.
First-principles total-energy calculations for planar shear and cleavage decohesion processes in B2-ordered NiAl and FeAl.
Medvedeva NI; Mryasov ON; Gornostyrev YN; Novikov DL; Freeman AJ.
Phys Rev B Condens Matter ; 54(19): 13506-13514, 1996 Nov 15.
Article in English | MEDLINE | ID: mdl-9985259
2.
Self-consistent relativistic full-potential Korringa-Kohn-Rostoker total-energy method and applications.
Bei der Kellen S; Freeman AJ.
Phys Rev B Condens Matter ; 54(16): 11187-11198, 1996 Oct 15.
Article in English | MEDLINE | ID: mdl-9984902
3.
First-principles determination of the tensile and slip energy barriers for B2 NiAl and FeAl.
Wu R; Zhong L; Chen Lj; Freeman AJ.
Phys Rev B Condens Matter ; 54(10): 7084-7089, 1996 Sep 01.
Article in English | MEDLINE | ID: mdl-9984327
4.
Structure and surface kinetics of bismuth adsorption on Si(001).
Qian Y; Bedzyk MJ; Lyman PF; Lee TL; Tang S; Freeman AJ.
Phys Rev B Condens Matter ; 54(7): 4424-4427, 1996 Aug 15.
Article in English | MEDLINE | ID: mdl-9986387
5.
Torque method for the theoretical determination of magnetocrystalline anisotropy.
Wang X; Wu R; Wang Ds; Freeman AJ.
Phys Rev B Condens Matter ; 54(1): 61-64, 1996 Jul 01.
Article in English | MEDLINE | ID: mdl-9984224
6.
Pressure-induced phonon softening and electronic topological transition in HgBa2CuO4.
Novikov DL; Katsnelson MI; Yu J; Postnikov AV; Freeman AJ.
Phys Rev B Condens Matter ; 54(2): 1313-1319, 1996 Jul 01.
Article in English | MEDLINE | ID: mdl-9985404
7.
Quadruple perovskites L'L"Ba2Cu2Ti2O11 as good candidates for high-temperature superconductors: Role of oxygen defects.
Novikov DL; Freeman AJ; Poeppelmeier KR.
Phys Rev B Condens Matter ; 53(14): 9448-9452, 1996 Apr 01.
Article in English | MEDLINE | ID: mdl-9982450
8.
Overlayer-induced anomalous interface magnetocrystalline anisotropy in ultrathin Co films.
Zhong L; Kim M; Wang X; Freeman AJ.
Phys Rev B Condens Matter ; 53(15): 9770-9775, 1996 Apr 15.
Article in English | MEDLINE | ID: mdl-9982536
9.
Influence of growth direction and strain conditions on the band lineup at GaSb/InSb and InAs/InSb interfaces.
Picozzi S; Continenza A; Freeman AJ.
Phys Rev B Condens Matter ; 53(16): 10852-10857, 1996 Apr 15.
Article in English | MEDLINE | ID: mdl-9982655
10.
Effects of carbon on Fe-grain-boundary cohesion: First-principles determination.
Wu R; Freeman AJ; Olson GB.
Phys Rev B Condens Matter ; 53(11): 7504-7509, 1996 Mar 15.
Article in English | MEDLINE | ID: mdl-9982202
11.
Bonding mechanism at bimetallic interfaces: Pd overlayer on various substrates.
Wu R; Freeman AJ.
Phys Rev B Condens Matter ; 52(16): 12419-12425, 1995 Oct 15.
Article in English | MEDLINE | ID: mdl-9980385
12.
Effects of epitaxial strain and ordering direction on the electronic properties of GaSb/InSb and InAs/InSb superlattices.
Picozzi S; Continenza A; Freeman AJ.
Phys Rev B Condens Matter ; 52(7): 5247-5255, 1995 Aug 15.
Article in English | MEDLINE | ID: mdl-9981710
13.
High-resolution structural study of Bi on Si(001).
Franklin GE; Tang S; Woicik JC; Bedzyk MJ; Freeman AJ; Golovchenko JA.
Phys Rev B Condens Matter ; 52(8): R5515-R5518, 1995 Aug 15.
Article in English | MEDLINE | ID: mdl-9981818
14.
Predicted c(2 x 2) buckling reconstruction of monolayer Mn on Fe(001) and its importance to the interfacial magnetic ordering.
Wu R; Freeman AJ.
Phys Rev B Condens Matter ; 51(23): 17131-17134, 1995 Jun 15.
Article in English | MEDLINE | ID: mdl-9978726
15.
Self-consistent full-potential total-energy Korringa-Kohn-Rostoker band-structure method: Application to silicon.
Bei der Kellen S; Oh Y; Badralexe E; Freeman AJ.
Phys Rev B Condens Matter ; 51(15): 9560-9568, 1995 Apr 15.
Article in English | MEDLINE | ID: mdl-9977618
16.
Structure and bonding at metal-ceramic interfaces: Ag/CdO(001).
Rao F; Wu R; Freeman AJ.
Phys Rev B Condens Matter ; 51(15): 10052-10056, 1995 Apr 15.
Article in English | MEDLINE | ID: mdl-9977681
17.
Electronic structure of superconductors without apical oxygen: Sr2CuO2F2, Sr2CuO2Cl2, and Ca2CuO2Cl2.
Novikov DL; Freeman AJ; Jorgensen JD.
Phys Rev B Condens Matter ; 51(10): 6675-6679, 1995 Mar 01.
Article in English | MEDLINE | ID: mdl-9977202
18.
Metal-ceramic interfaces: Overlayer-induced reconstruction and magnetism of 4d transition-metal monolayers.
Wu R; Freeman AJ.
Phys Rev B Condens Matter ; 51(8): 5408-5411, 1995 Feb 15.
Article in English | MEDLINE | ID: mdl-9979421
19.
Combined theoretical and experimental investigation of the adsorption geometry of Ga on Si(100) at low coverage.
Tang S; Freeman AJ; Qian Y; Franklin GE; Bedzyk MJ.
Phys Rev B Condens Matter ; 51(3): 1593-1600, 1995 Jan 15.
Article in English | MEDLINE | ID: mdl-9978876
20.
Chebyshev expansions for the scattering matrices in full-potential Korringa-Kohn-Rostoker band-structure calculations.
Bei der Kellen S; Oh Y; Badralexe E; Freeman AJ.
Phys Rev B Condens Matter ; 50(19): 13994-14000, 1994 Nov 15.
Article in English | MEDLINE | ID: mdl-9975617
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