The high-pressure phase transitions of silicon and gallium nitride: A comparative study of Hartree-Fock and density functional calculations

Journal of Physics Condensed Matter

Volumn 8, Issue 22, 1996, Pages 3993-4000

  Pandey, Ravindra ^a   Causa', Mauro ^b   Harrison, Nicholas M ^c   Seel, Max ^a  

^a MICHIGAN TECHNOLOGICAL UNIVERSITY   (United States)

^b UNIVERSITY OF TURIN   (Italy)

^c DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000520433     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/8/22/004     Document Type: Review

References (28)

1. Pandey R, Jaffe J E and Harrison N M 1994 J. Phys. Chem. Solids 55 1357
2. Perlin P, Gorczyca I, Christensen N E, Grzegory I, Teisseyre H and Suski T 1992 Phys. Rev. B 45 13 307
3. Van Camp P E, Van Doren V E and Devreese J T 1992 Solid State Commun. 81 23
4. Munoz A and Kunc K 1994 Comput. Mater. Sci. 2 400
5. Xia H, Xia Q and Ruoff A L 1993 Phys. Rev. B 47 12 925
6. Ueno M, Yoshida M and Onodera A 1994 Phys. Rev. B 49 14
7. Gupta M C and Ruoff A L 1980 J. Appl. Phys. 51 1072
8. Hu J Z, Merkle L D, Menoni C S and Spain I L 1986 Phys. Rev. B 34 4679
9. Duclos S J, Vohra Y K and Ruoff A L 1990 Phys. Rev. B 41 12 021
10. Yin M T and Cohen M 1982 Phys. Rev. B 26 5668
11. Needs R J and Martin R M 1984 Phys. Rev. B 30 5390
12. Crain J, Clark S J, Ackland G J, Payne M C, Milman V, Hatton P D and Reid B J 1994 Phys. Rev. B 49 5329
13. Moll N, Bockstedte M, Fuchs M, Pehlke E and Scheffler M 1995 Phys. Rev. B 52 2550
14. Murnaghan F D 1944 Proc. Natl Acad. Sci. USA 30 244
15. Harrison N M 1994 http://www.dl.ac.uk/TCS/MatSci/crystal Daresbury Laboratory
16. Basis sets can be obtained from the authors.
17. Pisani C, Dovesi R and Roetti C (ed) 1988 Hartree-Fock ab initio Treatment of Crystalline Systems (Berlin: Springer)
18. Dovesi R, Saunders V R and Roetti C 1992 Crystal 92, User Documentation University of Torino and Daresbury Laboratory
19. Causa' M, Dovesi R, Saunders V R and Roetti C 1996 unpublished work, University of Torino and Daresbury Laboratory
20. Causa' M, Dovesi R and Roetti C 1991 Phys. Rev. B 43 11 137
21. Perdew J P 1991 Electronic Structure of Solids '91 ed P Ziesche and H Eschrig (Berlin: Academic)
22. Causa' M and Zupan A 1994 Chem. Phys. Lett. 220 145
23. Causa' M and Zupan A 1994 Int. J. Quantum Chem. 28 633
24. Towler M D, Zupan A and Causa' M 1996 J. Comput. Phys. submitted
25. Perdew J P and Zunger A 1981 Phys. Rev. B 23 5048
26. Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566
27. Becke A D 1988 Phys. Rev. A 38 3098-100
28. Perdew J P and Yue W 1996 Phys. Rev. B 33 8800-2