Determination of the structure of the high-pressure phase of AuAl 2 with the help of first-principles calculations

Journal of Physics Condensed Matter

Volumn 20, Issue 32, 2008, Pages

  Verma, Ashok K ^a   Modak, P ^a   Sharma, Surinder M ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

HIGH-PRESSURE PHASE; STRUCTURAL PHASE TRANSITION;

EID: 49049104797     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/32/325215     Document Type: Article

References (24)

1. Samara G A 1986 Physica 139/140 B3
2. McMahon M I and Nelmes R J 2006 Chem. Soc. Rev. 35 943
3. Garg A B, Verma A K, Vijayakumar V, Rao R S and Godwal B K 2005 Phys. Rev. B 72 024112
4. Gregoryanz E, Sanloup C, Somayazulu M, Badro J, Fiquet G, Mao H-K and Hemley R 2004 Nat. Mater. 3 294
5. Young A F, Sanloup C, Gregoryanz E, Scandolo S, Hemley R J and Mao H-K 2006 Phys. Rev. Lett. 96 155501
6. Young A F, Montoya J A, Sanloup C, Lazzeri M, Gregoryanz E and Scandolo S 2006 Phys. Rev. B 73 153102
7. Hohenberg P C and Kohn W 1964 Phys. Rev. B 136 864
8. Kohn W and Sham L J 1965 Phys. Rev. A 140 1133
9. Hahn E and Seraphin B O 1978 Phys. Thin Film 10 1
10. Wernick J H, Menth A, Geballe T H, Hull G and Maita J P 1969 J. Phys. Chem. Solids 30 1949
11. Godwal B K, Meenakshi S, Modak P, Rao R S, Sikka S K, Vijayakumar V, Bussetto E and Lausi A 2002 Phys. Rev. B 65 R140101
12. Garg A B, Godwal B K, Meenakshi S, Modak P, Rao R S, Sikka S K, Vijayakumar V, Lausi A and Bussetto E 2002 J. Phys.: Condens. Matter 14 10605
13. Seifert K F and Bunsenges Ber 1966 Phys. Chem. 70 1041
14. Xiang W, Shan Q and Ziyu W 2006 Phys. Rev. B 73 134103
15. Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
16. Kresse G and Hafner J 1993 Phys. Rev. B 47 558
17. Kresse G and Joubert J 1999 Phys. Rev. B 59 1758
18. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
19. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
20. Monkhorst H J and Pack J D 1977 Phys. Rev. B 16 1748
21. Kokalj A 2003 Comput. Mater. Sci. 28 155
22. Asfcroft N W and Mermin N D 1976 Solid State Physics (Philadelphia, PA: Saunders College Publishing)
23. Rayne J A 1963 Phys. Lett. 7 114
24. Ziman J M 1967 Electrons and Phonons (Oxford: Oxford University Press) p 364