Fundamental state quantities and high-pressure phase transition in beryllium chalcogenides

Journal of Physics Condensed Matter

Volumn 18, Issue 46, 2006, Pages 10365-10375

  Berghout, A ^a,b   Zaoui, A ^b   Hugel, J ^a  

^a UNIVERSITÉ DE LORRAINE   (France)

^b UNIV LILLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; CHARGE TRANSFER; ELASTIC MODULI; ELECTRONIC PROPERTIES; HIGH PRESSURE EFFECTS; HYDROSTATIC PRESSURE; PHASE TRANSITIONS;

BERYLLIUM CHALCOGENIDES; DENSITY APPROXIMATION; FULL-POTENTIAL LINEAR AUGMENTED-PLANE WAVE (FP-LAPW); PLANE-WAVE PSEUDOPOTENTIAL (PPSPW);

BERYLLIUM COMPOUNDS;

EID: 33846039200     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/18/46/005     Document Type: Article

References (33)

1. Stukel D J 1970 Phys. Rev. B 2 1852
2. Madelung O (ed) 1992 Data in science and technology Semiconductors: Others than Group IV Elements and III-V Compounds (Berlin: Springer)
3. Luo H, Ghandehari K, Greene R G and Ruoff A L 1995 Phys. Rev. B 52 7058
4. Munoz A, Rodriguez-Hernandez P and Mujica A 1996 Phys. Rev. B 54 11861
5. Srivastava G P, Tütüncü H M and Günhan N 2004 Phys. Rev. B 70 085206
6. Benosman N, Amrane N, Meçabih S and Aourag H 2001 Physica B 304 214
7. Van Camp P E and Van Doren V E 1996 Solid State Commun. 98 741
8. Kalpana G, Pari G, Mookerjee A and Bhattacharyya A K 1998 Int. J. Mod. Phys. B 12 (19)
9. Gonzalez-Diaz M, Rodriguez-Hernandez P and Munoz A 1997 Phys. Rev. B 55 14043
10. Narayana C, Nesamony V J and Ruoff A L 1997 Phys. Rev. B 56 14338
11. Fleszar A and Hanke W 2000 Phys. Rev. B 62 2466
12. Wilmers K, Wethkamp T, Esser N, Cobet C, Richter W, Wagner V, Lugauer H, Fischer F, Gerhard T, Keim M and Cardona M 1999 J. Electron. Mater. 28 670
13. Waag A, Fischer F, Lugauer H J, Litz Th, Laubender J, Lunz U, Zehnder U, Ossau W, Gerhardt T, Möller M and Landwehr G 1996 J. Appl. Phys. 80 792
14. Yim W M, Dismukes J P, Stofko E J and Paff R J 1972 J. Phys. Chem. Solids 33 501
15. Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566
16. Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
17. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
18. Hedin L and Lundqvist 1969 Solid State Physics vol 23 ed H Ehrenreich, F Seitz and D Turnbull (New York: Academic) p1
19. Fleszar A and Hanke W 1997 Phys. Rev. B 56 10228
20. Murnaghan F D 1944 The compressibility of media under extreme pressures Proc. Natl Acad. Sci. 30 244-7
21. Mehl M J, Osburn J E, Papaconstantopoulos D A and Klein B M 1990 Phys. Rev. B 41 10311
22. Kittel C 1986 Introduction to Solid State Physics 6th edn (New York: Wiley)
23. Von Barth U and Car R unpublished
24. Bachelet G B, Hamann D R and Schlüter M 1982 Phys. Rev. B 26 4199
25. Zaoui A, Ferhat M, Khelifa B, Dufour J P and Aourag H 1994 Phys. Status Solidi b 185 163
26. Phillips J C 1970 Rev. Mod. Phys. 42 317
27. Pauling L 1960 The Nature of Chemical Bond 3rd edn (Ithaca, NY: Cornell University Press)
28. Coulson C A, Redei L B and Stocker D 1962 Proc. R. Soc. 270 352
29. Garcia A and Cohen M L 1993 Phys. Rev. B 47 4215
30. Perdew J P, Burke S and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
31. Blaha P, Schwarz K, Madsen G K H, Kvasnicka D and Luitz J 2001 Wien2k, An augmented plane wave + local orbitals program for calculating crystal properties Karlheinz Schwarz, Techn. Universitt Wien, Austria ISBN 3-9501031-1-2
32. Baroni S, Dal Corso A, de Gironcoli S, Giannozi P, Cavazzoni C, Ballabio G, Scandolo S, Chiarotti G, Marzari P and Kokalj A http://www.pwscf.org
33. Kohn W and Sham L J 1965 Phys. Rev. A 140 1131