Phases of Ca from first principles

Journal of Physics Condensed Matter

Volumn 21, Issue 43, 2009, Pages

  Qiu, S L ^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

ALL PHASE; BRAVAIS SYMMETRY; CELL STRUCTURE; CONSTANT VOLUMES; CUBIC DIAMOND; FIRST-PRINCIPLES; HEXAGONAL CLOSE-PACKED; LATTICE PARAMETERS; MEGABAR; ORTHORHOMBIC PHASIS; PRESSURE RANGES; RELATIVE STABILITIES; SIMPLE CUBIC; TOTAL ENERGY;

ATOMS; CALCIUM; GROUND STATE;

PHASE TRANSITIONS;

EID: 70449591690     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/43/435403     Document Type: Article

References (18)

1. Qiu S L and Marcus P M 2008 Eur. Phys. J. B 66 1
2. Qiu S L and Marcus P M 2008 J. Phys.: Condens. Matter 20 345233
3. Qiu S L and Marcus P M 2008 J. Phys.: Condens. Matter 20 275218
4. Marcus P M and Qiu S L 2009 J. Phys.: Condens. Matter 21 125404
5. Marcus P M and Qiu S L 2009 J. Phys.: Condens. Matter 21 115401
6. Blaha P, Schwarz K, Madsen G K H, 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
7. Blaha P, Schwarz K and Sorantin P 1990 Comput. Phys. Commun. 59 399
8. Arapan S, Mao H and Ahuja R 2008 Proc. Natl Acad. Sci. 105 20627
9. Yao Y S, Tse J S and Song Z 2008 Phys. Rev. B 78 054506
10. Teweldeberhan A M and Bonev S A 2008 Phys. Rev. B 78 140101
11. Lewis S P and Cohen M L 1993 Phys. Rev. B 48 16144
12. Olijnyk H and Holzapfel W B 1984 Phys. Lett. A 100 191
13. Ahuja R, Eriksson O, Wills J M and Johansson B 1995 Phys. Rev. Lett. 75 3473
14. Skriver H L 1982 Phys. Rev. Lett. 49 1768
15. Jona F and Marcus P M 2006 J. Phys.: Condens. Matter 18 4623
16. Wentzcovitch R M and Krakauer H 1990 Phys. Rev. B 42 4563
17. Sofronkov A N, Drozdov V A and Pozhivatenko V V 1992 Phys. Met. Metallogr. 74 140 (Engl. Transl.)
18. Sliwko V L, Mohn P, Schwarz K and Blaha P 1996 J. Phys.: Condens. Matter 8 799