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1.
Electronic structure of Pu compounds with group-IIIB metals: Two regimes of behavior.
Becker JD; Wills JM; Cox L; Cooper BR.
Phys Rev B Condens Matter ; 54(24): R17265-R17268, 1996 Dec 15.
Article in English | MEDLINE | ID: mdl-9985933
2.
Total-energy study of electronic structure and mechanical behavior of C15 Laves phase compounds: NbCr2 and HfV2.
Ormeci A; Chu F; Wills JM; Mitchell TE; Albers RC; Thoma DJ; Chen SP.
Phys Rev B Condens Matter ; 54(18): 12753-12762, 1996 Nov 01.
Article in English | MEDLINE | ID: mdl-9985131
3.
Electronic structure and x-ray photoelectron spectroscopy of the alpha, beta, and gamma phases of Np.
Albers RC; Boring AM; Wills JM; Cox LE; Eriksson OE; Christensen NE.
Phys Rev B Condens Matter ; 54(20): 14405-14412, 1996 Nov 15.
Article in English | MEDLINE | ID: mdl-9985446
4.
Theoretical and experimental study of the graphite 1s x-ray absorption edges.
Ahuja R; Brühwiler PA; Wills JM; Johansson B; Mårtensson N; Eriksson O.
Phys Rev B Condens Matter ; 54(20): 14396-14404, 1996 Nov 15.
Article in English | MEDLINE | ID: mdl-9985445
5.
Theoretical structural phase stability of BeO to 1 TPa.
Boettger JC; Wills JM.
Phys Rev B Condens Matter ; 54(13): 8965-8968, 1996 Oct 01.
Article in English | MEDLINE | ID: mdl-9984608
6.
Electronic and optical properties of red HgI2.
Ahuja R; Eriksson O; Johansson B; Auluck S; Wills JM.
Phys Rev B Condens Matter ; 54(15): 10419-10424, 1996 Oct 15.
Article in English | MEDLINE | ID: mdl-9984837
7.
TiC(001) Surface Relaxation.
Price DL; Wills JM; Cooper BR.
Phys Rev Lett ; 77(16): 3375-3378, 1996 Oct 14.
Article in English | MEDLINE | ID: mdl-10062204
8.
Optical properties of the group-IVB refractory metal compounds.
Delin A; Eriksson O; Ahuja R; Johansson B; Brooks MS; Gasche T; Auluck S; Wills JM.
Phys Rev B Condens Matter ; 54(3): 1673-1681, 1996 Jul 15.
Article in English | MEDLINE | ID: mdl-9986011
9.
Electronic structure and optical properties of WO3, LiWO3, NaWO3, and HWO3.
Hjelm A; Granqvist CG; Wills JM.
Phys Rev B Condens Matter ; 54(4): 2436-2445, 1996 Jul 15.
Article in English | MEDLINE | ID: mdl-9986090
10.
Calculated optical properties of Si, Ge, and GaAs under hydrostatic pressure.
Alouani M; Wills JM.
Phys Rev B Condens Matter ; 54(4): 2480-2490, 1996 Jul 15.
Article in English | MEDLINE | ID: mdl-9986095
11.
First-principles theory of iron up to earth-core pressures: Structural, vibrational, and elastic properties.
Söderlind P; Moriarty JA; Wills JM.
Phys Rev B Condens Matter ; 53(21): 14063-14072, 1996 Jun 01.
Article in English | MEDLINE | ID: mdl-9983199
12.
Calculated spin and orbital moments in the surfaces of the 3d metals Fe, Co, and Ni and their overlayers on Cu(001).
Hjortstam O; Trygg J; Wills JM; Johansson B; Eriksson O.
Phys Rev B Condens Matter ; 53(14): 9204-9213, 1996 Apr 01.
Article in English | MEDLINE | ID: mdl-9982422
13.
Structural, elastic, and high-pressure properties of cubic TiC, TiN, and TiO.
Ahuja R; Eriksson O; Wills JM; Johansson B.
Phys Rev B Condens Matter ; 53(6): 3072-3079, 1996 Feb 01.
Article in English | MEDLINE | ID: mdl-9983814
14.
Theoretical investigation of the high-pressure crystal structures of Ce and Th.
Söderlind P; Eriksson O; Johansson B; Wills JM.
Phys Rev B Condens Matter ; 52(18): 13169-13176, 1995 Nov 01.
Article in English | MEDLINE | ID: mdl-9980505
15.
Theoretical confirmation of the high pressure simple cubic phase in calcium.
Ahuja R; Eriksson O; Wills JM; Johansson B.
Phys Rev Lett ; 75(19): 3473-3476, 1995 Nov 06.
Article in English | MEDLINE | ID: mdl-10059595
16.
Total energy calculation of the magnetocrystalline anisotropy energy in the ferromagnetic 3d metals.
Trygg J; Johansson B; Eriksson O; Wills JM.
Phys Rev Lett ; 75(15): 2871-2874, 1995 Oct 09.
Article in English | MEDLINE | ID: mdl-10059426
17.
Prediction of an undimerized, insulating, antiferromagnetic ground state in halogen-bridged linear-chain Ni compounds.
Anisimov VI; Albers RC; Wills JM; Alouani M; Wilkins JW.
Phys Rev B Condens Matter ; 52(10): R6975-R6978, 1995 Sep 01.
Article in English | MEDLINE | ID: mdl-9979728
18.
Optical and electronic-structure study of cubic and hexagonal GaN thin films.
Petalas J; Logothetidis S; Boultadakis S; Alouani M; Wills JM.
Phys Rev B Condens Matter ; 52(11): 8082-8091, 1995 Sep 15.
Article in English | MEDLINE | ID: mdl-9979806
19.
Bulk and surface magnetism and interplanar spacings in Gd from first-principles calculations.
Eriksson O; Ahuja R; Ormeci A; Trygg J; Hjortstam O; Söderlind P; Johansson B; Wills JM.
Phys Rev B Condens Matter ; 52(6): 4420-4426, 1995 Aug 01.
Article in English | MEDLINE | ID: mdl-9981574
20.
Enhancement of Orbital Magnetism at Surfaces: Co on Cu(100).
Tischer M; Hjortstam O; Arvanitis D; Hunter Dunn J; May F; Baberschke K; Trygg J; Wills JM; Johansson B; Eriksson O.
Phys Rev Lett ; 75(8): 1602-1605, 1995 Aug 21.
Article in English | MEDLINE | ID: mdl-10060339
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