Electronic and structural properties of β-Be3N2

Physica B: Condensed Matter

Volumn 324, Issue 1-4, 2002, Pages 305-311

  Mokhtari, A ^a   Akbarzadeh, H ^a  

^a ISFAHAN UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Be3N2; Density functional theory; FP LAPW

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE;

DENSITY FUNCTIONAL THEORY;

BERYLLIUM COMPOUNDS;

EID: 0036848782     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0921-4526(02)01416-3     Document Type: Article

References (24)

1. Lambrecht W.R.L., Segall B. Phys. Rev. B. 45:1991;1485.
2. Hohenberg P., Kohn W. Phys. Rev. 136:1964;B864.
3. Kohn W., Sham L.J. Phys. Rev. 140:1965;A1133.
4. Petukhov A.G., Lambrecht W.R.L., Segall B. Phys. Rev. B. 49:1994;4549.
5. Lee C.H., Lambrecht W.R.L., Segall B. Phys. Rev. B. 51:1995;392.
6. Reyes-Serrato A., Soto G., Gamietea A., Farias M.H. J. Phys. Chem. Solids. 59:1998;743.
7. Wyckoff R.W.G. Crystal Structures. 2nd Edition:1986;Krieger, Malabar.
8. Payne M.C., Teter M.P., Allan D.C., Arias T.A., Joannopoulos J.D. Rev. Mod. Phys. 64:1992;1045.
9. Teter M.P., Payne M.C., Allan D.C. Phys. Rev. B. 40:1989;12255.
10. Kleinman L., Bylander D.M. Phys. Rev. Lett. 48:1982;1425.
11. M.H. Lee, Ph.D. Thesis, University of Cambridge, 1994.
12. Monkhorst H.J., Pack J.D. Phys. Rev. B. 13:1989;5188.
13. Perdew J.P., Zunger A. Phys. Rev. B. 23:1981;5048.
14. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., Fiolhais C. Phys. Rev. B. 46:1992;6671.
15. P. Blaha, K. Schwarz, J. Luitz, WIEN97, A full potential linearized augmented plane wave package for calculating crystal properties, Karlheinz Schwarz, Techn. Universität Wien, Austria, 1999. ISBN 3-9501031-0-4.
16. Perdew J.P., Burke S., Ernzerhof M. Phys. Rev. Lett. 77:1996;3865.
17. Engel E., Vosko S.H. Phys. Rev. B. 47:1993;13164.
18. Murnaghan F.D. Proc. Natl. Acad. Sci. USA. 30:1994;244.
19. Wentzcovitch R.M. Phys. Rev. B. 44:1991;2358.
20. Akbarzadeh H., Mohammadizadeh M. Comput. Mater. Sci. 8:1997;335.
21. Gunnarson O., Andersen O.K., Jepsen O., Zaanen J. Phys. Rev. B. 39:1989;1708.
22. Anisimov V.I., Gunnarson O. Phys. Rev. B. 43:1991;7570.
23. Dufek P., Blaha P., Schwarz K. Phys. Rev. B. 50:1994;7279.
24. Blöchl P.E., Jepsen O., Andersen O.K. Phys. Rev. B. 49:1994;16223.