Bravais phases of Fe under pressure from first principles

Journal of Physics Condensed Matter

Volumn 20, Issue 34, 2008, Pages

  Qiu, S L ^a   Apostol, F ^a   Marcus, P M ^b  

^a FLORIDA ATLANTIC UNIVERSITY   (United States)

^b IBM T J WATSON RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FREE VOLUME;

CONSTANT PRESSURES; CONSTANT VOLUMES; FIRST LOOKS; FIRST PRINCIPLES; INTERNAL ENERGIES; UNDER PRESSURES;

PHASE TRANSITIONS;

EID: 56349157120     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/34/345233     Document Type: Article

References (18)

1. Marcus P M, Ma H and Qiu S L 2002 J. Phys.: Condens. Matter 14 L525
2. Ma H, Qiu S L and Marcus P M 2002 Phys. Rev. B 66 024113
3. Sin'ko G V and Smirnov N A 2004 J. Phys.: Condens. Matter 16 8101
4. Söderlind P, Moriarty J A and Wills J M 1996 Phys. Rev. B 53 14063
5. Vocadlo L, Alfe D, Gillan M J, Wood I G, Brodholt J P and Price G D 2003 Nature 424 536
6. Stixrude L, Cohen R E and Singh D J 1994 Phys. Rev. B 50 6442
7. Caspersen K J, Lew A, Ortiz M and Carter E A 2004 Phys. Rev. Lett. 93 115501
8. Barron T H K and Klein M L 1965 Proc. Phys. Soc. 85 523
9. Peng S S and Jansen H J F 1991 J. Appl. Phys. 69 6132
10. Spik D and Hafner J 2000 Phys. Rev. B 61 16129
11. Spik D and Hafner J 2002 Phys. Rev. Lett. 88 056101
12. Landau L D and Lifshitz E M 1980 Statistical Physics 3rd edn (Oxford: Pergamon) part 1
13. Nye J F 1985 Physical Properties of Crystals (Oxford: Clarendon)
14. Marcus P M, Jona F and Qiu S L 2002 Phys. Rev. B 66 064111
15. Kraft T, Marcus P M, Methfessel M and Scheffler M 1993 Phys. Rev. B 48 5886
16. Blaha P, Schwarz K, Madsen Kvasnicka G D and Luitz J 2001 WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties Karlheinz Schwarz, Techn. Universität Wien, Austria (ISBN 3-9501031-1-2)
17. Blaha P, Schwarz K and Sorantin P 1990 Comput. Phys. Commun. 59 399
18. Marcus P M and Jona F 2005 Eur. Phys. J. B 45 39