Fluctuating lattice constants of indium under high pressure

Physical Review Letters

Volumn 92, Issue 19, 2004, Pages

  Mikhaylushkin, A S ^a,b   Haussermann U ^a   Johansson, B ^b,c   Simak, S I ^b  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b UPPSALA UNIVERSITY   (Sweden)

^c ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; FREE ENERGY; GROUND STATE; HIGH PRESSURE EFFECTS; INDIUM; INDIUM ALLOYS; LOW TEMPERATURE EFFECTS; PHASE TRANSITIONS; PHONONS;

BRILLOUIN ZONES; FIRST PRINCIPLE CALCULATIONS; LATTICE STRUCTURES; STRUCTURAL FLUCTUATIONS;

LATTICE CONSTANTS;

EID: 17044446193     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.92.195501     Document Type: Article

References (21)

1. K. Takemura, Phys. Rev. B 44, 545 (1991).
2. K. Takemura and H. Fujihisa, Phys. Rev. B 47, 8465 (1993).
3. O. Schulte and B. Holzapfel, Phys. Rev. B 48, 767 (1993).
4. K. Takemura, K. Kobayashi, and M. Arai, Phys. Rev. B 58, 2482 (1998).
5. S. I. Simak, U. Häussermann, R. Ahuja, S. Lidin, and B. Johansson, Phys. Rev. Lett. 85, 142 (2000).
6. U. Häussermann, S. I. Simak, R. Ahuja, B. Johansson, and S. Lidin, Angew. Chem., Int. Ed. Engl. 38, 2017 (1999).
7. U. Häussermann, S. I. Simak, R. Ahuja, and B. Johansson, Phys. Rev. Lett. 90, 065701 (2003).
8. P. Villars and L. D. Calvert, Pearson's Handbook of Crystallogmphic Data for Intermetallic Phases (American Society for Metals, Metals Park, OH, 1985).
9. M. Hansen and K. Anderko, Constitution of Binary Alloys (McGraw-Hill Book Company, New York, 1958).
10. T. B. Massalski, H. Okamoto, P. R. Subramanian, and L. Kacprzsak, Binary Alloys Phase Diagrams (ASM International, Materials Park, OH, 1990), Vol. 3.
11. V. F. Degtyareva, I. K. Bdikin, and F. Forsch, J. Phys. Condens. Matter 15, 1635 (2003).
12. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994).
13. G. Kresse and J. Joubert, Phys. Rev. B 59, 1758 (1999).
14. G. Kresse and J. Hafner, Phys. Rev. B 48, 13115 (1993).
15. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
16. Y. Wang and J. P. Perdew, Phys. Rev. B 44, 13 298 (1991); J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
17. Y. Wang and J. P. Perdew, Phys. Rev. B 44, 13 298 (1991); J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
18. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1972).
19. G. Kresse and J. Furthmüller, Europhys. Lett. 32, 729 (1995).
20. See D. Alfe's home page for details: http://chianti. geol.ucl.ac.uk/ ~dario/
21. A. S. Mikhaylushkin et al. (unpublished).