Electric field gradient calculations of various borides

Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences

Volumn 51, Issue 5-6, 1996, Pages 527-533

  Schwarz, Karlheinz ^a   Ripplinger, H ^a   Blaha, P ^a  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Band structure calculations; Boron carbide; Diborides; Electric field gradient; Hexaborides

Indexed keywords

EID: 0038971816     PISSN: 09320784     EISSN: None     Source Type: Journal    
DOI: 10.1515/zna-1996-5-627     Document Type: Article

References (23)

1. P. Blaha, K. Schwarz, and P. Herzig, Phys. Rev. Lett. 54, 1192 (1985).
2. P. Blaha, K. Schwarz, and P. H. Dederichs. Phys. Rev. B37, 2792 (1988).
3. P. Blaha, D. J. Singh, P. I. Sorantin, and K. Schwarz, Phys. Rev. B46, 1321 (1992).
4. K. Schwarz, C. Ambrosch-Draxl, and P. Blaha. Phys. Rev. B42, 2051 (1990).
5. P. Blaha and K. Schwarz, J. Mol. Struct. (Theochem), 261, 355 (1992).
6. P. Blaha, K. Schwarz, P. Dufek, and R. Augustyn, WIEN 95, Technical University of Vienna, 1995. (An improved and updated Unix version of the original copyrighted WIEN-code, which was published by P. Blaha, K. Schwarz, P. I. Sorantin, and S. B. Trickey, Comput. Phys. Commun. 59, 399 (1990).
7. J. P. Perdew, In: Electronic structure of Solids '91, eds. P. Ziesche and H. Eschrig (Akademie Verlag, Berlin 1991).
8. P. Dufek, P. Blaha, V. Sliwko, and K. Schwarz, Phys. Rev. B 49, 10170 (1994).
9. A. H. Silver and T. Kushida, J. Chem. Phys. 38, 865 (1963).
10. R. E. Sears, J. Chem. Phys. 76, 5651 (1982).
11. M. Aono and S. Kawai, J. Phys. Chem. Solids 40, 797 (1979).
12. T. Kushida, N. Laurance, and A. H. Silver, Bull. Am. Phys. Soc. 7, 226 (1962).
13. D. M. Bylander, L. Kleinman, and S. Lee, Phys. Rev. B42, 1394 (1990).
14. S. Lee, S. W. Kim, D. M. Bylander, and L. Kleinman, Phys. Rev. B44, 3550 (1991).
15. D. M. Bylander and L. Kleinman, Phys. Rev. B43, 1487 (1991).
16. D. Emin, Phys. Rev. B 38, 6041 (1988).
17. D. R. Tallant, T. S. Aselage, A. N. Campbell, and D. Emin, Phys. Rev. B 40, 5649 (1989).
18. E. L. Venturini, D. Emin, and T. L. Aselage, and C. Wood, Materials Research Society, Pittsburgh, 1987, p. 83.
19. C. Wood and D. Emin, Phys. Rev. B29, 4582 (1985).
20. A. Kirfel, A. Gupta, and G. Will, Acta Cryst. B 35, 1052 (1979).
21. A. H. Silver and P. J. Bray, J. Chem. Phys. 31, 247 (1959).
22. P. Dufek, P. Blaha, and K. Schwarz. Phys. Rev. Lett. 75, 3545 (1995).
23. P. Pyykkö, Z. Naturforsch. 47 a, 189 (1992).