Compared electron charge densities for the series of solid phosphide compounds; an ab initio study

Journal of Physics Condensed Matter

Volumn 9, Issue 15, 1997, Pages 3139-3149

  Lichanot, Albert ^a   Causà, Mauro ^b  

^a UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

^b UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001065271     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/9/15/007     Document Type: Article

References (40)

1. Pisani C, Dovesi R and Roetti C 1988 Hartree-Fock ab initio Treatment of Crystalline Systems (Springer Lecture Notes in Chemistry 48) (Heidelberg: Springer)
2. Dovesi R, Pisani C, Roetti C, Causà M and Saunders V R 1988 Crystal 88 Program No 577 (Quantum Chemistry Program Exchange, Indiana University, Bloomington)
3. Dovesi R, Roetti C and Saunders V R 1992 Crystal 92 User Documentation University of Turin (Italy) and SERC Daresbury Laboratory (UK)
4. Causà M and Zupan A 1994 Chem. Phys. Lett. 20 145
5. Causà M and Zupan A 1994 Int. J. Quantum Chem., Quantum Chem. Symp. 28 633
6. Lichanot A, Rerat M and Causà M 1996 J. Phys. C: Solid State Phys. 8 10 425
7. Loupias G, Wentzcovitch R, Bellaiche L, Moscovici J and Rabii S 1994 Phys. Rev. B 49 13 342
8. Orlando R, Dovesi R, Roetti C and Saunders V R 1990 J. Phys.: Condens. Matter 2 7769
9. Pandey R, Jaffe J E and Harrison N M 1994 J. Phys. Chem. Solids 55 1357
10. Causà M, Dovesi R and Roetti C 1991 Phys. Rev. B 43 11 937
11. Weast R C, Astle M J and Beyer W H 1987 Handbook of Chemistry and Physics 67th edn (West Palm Beach, FL: Chemical Rubber Company Press)
12. Wentzcovitch R M, Chang K J and Cohen M L 1986 Phys. Rev. B 34 1071
13. Harrison W A 1981 Phys. Rev. B 23 5230
14. Sanjurjo J A, Lopez-Cruz E, Vogl P and Cardona M 1983 Phys. Rev. B 28 4579
15. Zhang S B and Cohen M L 1987 Phys. Rev. B 35 7604
16. Numerical Data and Functional Relationships in Science and Technology, Landolt-Börnstein New Series 1982 Group III, vol 17a, ed O Madelung (Berlin: Springer)
17. Murnaghan F D 1944 Proc. Natl Acad. Sci. USA 30 244
18. Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566
19. Spackman M A 1986 Acta Crystallogr. A 42 271
20. Sirota N N, Olekhnovich A I and Petrov K P 1974 Dokl. Akad. Nauk 215 N4
21. Uno R and Ishigaki J 1975 J. Appl. Crystallogr. 8 578
22. Wang C S and Klein B M 1981 Phys. Rev. B 24 3393 Wang C S and Klein B M 1981 Proc. Symp. on Electronic Distributions and Chemical Bonding ed P Coppens and M B Hall (New York: Plenum) p 133
23. Wang C S and Klein B M 1981 Phys. Rev. B 24 3393 Wang C S and Klein B M 1981 Proc. Symp. on Electronic Distributions and Chemical Bonding ed P Coppens and M B Hall (New York: Plenum) p 133
24. Lichanot A, Azavant P and Pietsch U 1996 Acta Crystallogr. B 52 586
25. Prasad C and Sahay M 1989 Phys. Status Solidi b 154 201
26. Rodríguez-Hernández P, González-Diaz M and Muñoz A 1995 Phys. Rev. B 51 14 705
27. Sakai S, Ueta Y and Terauchi Y 1993 Japan. J. Appl. Phys. 32 4413
28. Sarkar R L and Chatterjee S 1979 Phys. Status Solidi b 94 641
29. Rodríguez-Hernández P and Muñoz A 1992 Semicond. Sci. Technol. 7 1437
30. Vogl P, Hjalmarson H P and Dow J D 1983 J. Phys. Chem. Solids 44 365
31. Aourag H, Sellal F and Khelifa B 1992 Mater. Chem. Phys. 30 229
32. Swarts C A, Miller D L, Franceschetti D R, Hjalmarson H P, Vogl P and Dow J D 1980 Phys. Rev. B 21 1708
33. Strehlow R, Hanke M and Kühn W 1985 Phys. Status Solidi b 131 631
34. Peltzer E L, Blanca Y, Cappannini O M, Casali R A and Rodriguez C 1990 J. Phys. Chem. Solids 51 1111
35. Dovesi R, Roetti C, Freyria-Favà C, Aprà E, Saunders V R and Harrison N M 1992 Phil. Trans. R. Soc. A 341 203
36. Causà M, Dovesi R, Pisani C and Roetti C 1986 Acta Crystallogr. B 42 247
37. Pisani C, Dovesi R and Orlando R 1992 Int. J. Quantum Chem. 42 5
38. Philips J C 1973 Bonds and Bands in Semiconductors (New York: Academic)
39. Christensen N E, Satpathy S and Pawlowska Z 1987 Phys. Rev. B 36 1032
40. International Tables for Crystallography 1987 vol A (Dordrecht: Reidel)