The application of ab-initio linear combination of pseudo-atomic-orbital scheme for the electronic structure of lithium azide LiN3

Physica Status Solidi (B) Basic Research

Volumn 202, Issue 2, 1997, Pages 941-949

  Gordienko, A B ^a   Poplavnoi, A S ^a  

^a KEMEROVO STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0039328036     PISSN: 03701972     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3951(199708)202:2<941::AID-PSSB941>3.0.CO;2-K     Document Type: Article

References (14)

1. R.W. JANSEN and O.F. SANKEY, Phys. Rev. B 36, 6520 (1987).
2. H.D. FAIR and R.F. WALKER (Ed.), Physics and Chemistry of the Inorganic Azides, Energetic Materials, Vol. 1, Plenum Press, New York 1977.
3. S. LOUIE, K.-M. HO, and M.L. COHEN, Phys. Rev. B 19, 1774 (1979).
4. P. HOHENBERG and W. KOHN, Phys. Rev. B 36, 864 (1964).
5. G.B. BACHELET, D.R. HAMANN, and M. SCHLÜTER, Phys. Rev. B 26, 4199 (1982).
6. J.P. PERDEW and A. ZUNGER, Phys. Rev. B 23, 5048 (1981).
7. A.H. MACDONALD, S.H. VOSKO, and P.T. COLERIDGE, J. Phys. C 12, 2991 (1979).
8. R.A. EVARESTOV, Quantum-Chemical Methods in Solid State Theory, Leningrad 1982 (in Russian).
9. M. SEEL and A.B. KUNZ, Internat. J. Quantum Chem. 39, 149 (1991).
10. G. ORTIZ, Phys. Rev. B 45, 11328 (1991).
11. O.V. KOVALEV, Irreducible and Induced Representations and Corepresentations of Fedorov Groups. Izd. Nauka, Moscow 1986 (in Russian).
12. A.B. GORDIENKO, YU.N. ZHURAVLEV, and A.S. POPLAVNOI, phys. stat. sol. (b) 198, 707 (1996).
13. V. FIORENTINI and A. BALDERESHI, J. Phys.: Condensed Matter 4, 5967 (1992).
14. J.D. STEVENS, J. RYS, and P. COPPENS, J. Amer. Chem. Soc. 99, 265 (1977).