Electronic structure and properties

Physical Review B - Condensed Matter and Materials Physics

Volumn 56, Issue 12, 1997, Pages 7189-7196

  Ruiz, Eliseo ^a   Alvarez, Santiago ^a   Alemany, Pere ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001605671     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.56.7189     Document Type: Article

References (45)

1. A. F. Wells, Structural Inorganic Chemistry, 3rd ed. (Clarendon Press, Oxford, 1984).
2. U. Müller, Inorganic Structural Chemistry (Wiley, Chichester, 1993).
3. D. P. Trauernicht and J. P. Wolfe, Phys. Rev. B 34, 2561 (1986).
4. M. A. Washington, A. Z. Genack, H. Z. Cummins, R. H. Bruce, A. Compaan, and R. A. Forman, Phys. Rev. B 15, 2145 (1977).
5. L. Kleinman and K. Mednick, Phys. Rev. B 21, 1549 (1980).
6. J. P. Dahl, and A. C. Switendick, J. Phys. Chem. Solids 27, 931 (1966).
7. J. Robertson, Phys. Rev. B 28, 3378 (1983).
8. J. Ghijsen, L. H. Tjeng, J. van Elp, H. Eskes, and M. T. Czyzyk, Phys. Rev. B 38, 11 322 (1988).
9. J. Ghijsen, L. H. Tjeng, H. Eskes, G. A. Sawatzky, and R. L. Johnson, Phys. Rev. B 42, 2268 (1990).
10. J.-M. Mariot, V. Barnole, C. F. Hague, G. Vetter, and F. Queyroux, Z. Phys. B 15, 1 (1989).
11. P. Marksteiner, P. Blaha, and K. Schwarz, Z. Phys. B 64, 119 (1986).
12. W. Y. Ching, Y.-N. Xu, and K. W. Wong, Phys. Rev. B 40, 7684 (1989).
13. R. A. Evarestov and V. A. Veryazov, Phys. Status Solidi B 157, 281 (1990).
14. S. Nagel, J. Phys. Chem. Solids 46, 743 (1985).
15. G. L. Goodman, D. E. Ellis, E. E. Alp, and L. Soderholm, J. Chem. Phys. 91, 2983 (1989).
16. R. Dovesi, V. R. Saunders, and C. Roetti, computer code CRYSTAL92, University of Torino (Italy) and Landsbury Laboratory (U.K.), 1992.
17. R. Dovesi, V. R. Saunders, C. Roetti, M. Causà, N. M. Harrison, R. Orlando, and E. Aprà, computer code CRYSTAL95, University of Torino (Italy) and Daresbury Laboratory (U.K.), 1996.
18. C. Pisani, R. Dovesi, and C. Roetti, Hartree-Fock Ab-Initio Treatment of Crystalline Solids (Springer-Verlag, Berlin, 1988), Vol. 48.
19. W. C. Mackrodt, N. M. Harrison, V. R. Saunders, N. L. Allan, M. D. Towler, E. Aprà, and R. Dovesi, Philos. Mag. A 68, 653 (1993).
20. M. D. Towler, N. L. Allan, N. M. Harrison, V. R. Saunders, W. C. Mackrodt, and E. Aprà, Phys. Rev. B 50, 5041 (1994).
21. R. W. G. Wyckoff, Crystal Structures (Wiley, New York, 1965), Vol. 1.
22. M. M. Beg and S. M. Shapiro, Phys. Rev. B 13, 1728 (1976).
23. J. Hallberg and R. C. Hanson, Phys. Status Solidi B 42, 305 (1970).
24. R. Orlando, C. Pisani, C. Roetti, and E. Stefanovich, Phys. Rev. B 45, 592 (1992).
25. R. A. Evarestov and V. P. Smirnov, Site Symmetry in Crystals: Theory and Applications (Springer-Verlag, Berlin, 1993).
26. S. C. Miller and W. F. Love, Tables of Irreducible Representations of Space Groups and Co-Representations of Magnetic Space Groups (Pruett, Boulder, 1967).
27. S. Nikitine, J. B. Grun, and M. Sieskind, J. Phys. Chem. Solids 27, 931 (1961).
28. L. E. Orgel, J. Chem. Soc. 1958, 4186.
29. R. Restori and D. Schwarzenbach, Acta Crystallogr. Sec. B 42, 201 (1986).
30. K. Yvon, W. Jeitschko, and E. Parthé, J. Appl. Crystallogr. 10, 73 (1977).
31. B. Williams, Compton Scattering: The Investigation of Electron Momentum Distributions (McGraw-Hill, New York, 1977).
32. A. Deb and A. K. Chatterfee, J. Phys.: Condens. Matter 8, 5139 (1996).
33. S. Bandyopadhyay, A. K. Chatterjee, S. K. Saha, and A. Chatterfee, J. Phys.: Condens. Matter 12, 2403 (1994).
34. A. Goltzené, C. Shwab, and H. C. Wolf, Solid State Commun. 18, 1565 (1976).
35. A. Goltzené and C. Shwab, Phys. Status Solidi B 92, 483 (1979).
36. J. W. Hodby, T. E. Jenkins, C. Shwab, H. Tamura, and D. Trivich, J. Phys. C 9, 1429 (1976).
37. D. Proserpio, R. Hoffmann, and P. Preuss, J. Am. Chem. Soc. 116, 9634 (1994).
38. G. Valerio, D. M. Proserpio, G. Sandrone, and M. Catti, J. Phys. Chem. 99, 16 261 (1995).
39. P. Alemany, S. Alvarez, M.-H. Whangbo, and M. Evain, Inorg. Chem. 31, 119 (1992).
40. Y. Jiang, S. Alvarez, and R. Hoffmann, Inorg. Chem. 24, 749 (1985).
41. P. Pyykko and Y. Zhao, Angew. Chem. Int. Ed. Engl. 30, 604 (1991).
42. C. Moller and M. S. Plesset, Phys. Rev. 46, 618 (1934).
43. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
44. R. Dovesi, C. Roetti, C. Freytia-Fava, M. Prencipe, and V. Saunders, Chem. Phys. 156, 11 (1991).
45. N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer, Can. J. Chem. 70, 560 (1992).