Improvement of the spin-polarized self-consistent-charge extended Huckel tight-binding method

Materials Chemistry and Physics

Volumn 62, Issue 2, 2000, Pages 122-130

  Kitamura, Michihide ^a   Inoue, Kanryu ^b   Chen, Haydn ^c  

^a UTSUNOMIYA UNIVERSITY   (Japan)

^b UNIVERSITY OF WASHINGTON   (United States)

^c UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHROMIUM COMPOUNDS; ENERGY GAP; FERROMAGNETIC MATERIALS; MAGNETIC SEMICONDUCTORS; MATRIX ALGEBRA; NIOBIUM COMPOUNDS; SEMICONDUCTING MANGANESE COMPOUNDS; TANTALUM COMPOUNDS; TITANIUM DIOXIDE; VANADIUM COMPOUNDS;

HUCKEL TIGHT BINDING METHOD;

ELECTRONIC STRUCTURE;

EID: 0033895613     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0254-0584(99)00148-0     Document Type: Article

References (41)

1. B. Alder, S. Fernbach, M. Rotenberg, Method in computational physics, vol. 8, Energy Bands of Solids, Academic Press, New York, 1968.
2. A.A. Katsnelson, V.S. Stepanyuk, A.I. Szasz, O.V. Farberovich, Computational Methods in Condensed Matter: Electronic Structure, American Institute of Physics, New York, 1992.
3. Korringa J. Physica. 13:1947;392.
4. Kohn W., Rostoker J. Phys. Rev. 94:1954;1111.
5. T.L. Loucks, Augmented Plane Wave Method: A Guide to Performing Electronic Structure Calculations, Benjamin, New York, 1967.
6. Herring C. Phys. Rev. 57:1940;1169.
7. Kitamura M., Muramatsu S., Sugiura C. Phys. Rev. B. 33:1986;5294.
8. Kitamura M., Muramatsu S., Sugiura C. Phys. Status Solidi B. 142:1987;191.
9. Kitamura M., Muramatsu S., Sugiura C. Phys. Rev. B. 37:1988;6486.
10. Kitamura M., Sugiura C., Muramatsu S. Phys. Status Solidi B. 149:1988;791.
11. Kitamura M., Muramatsu S. Phys. Rev. B. 42:1990;1417.
12. W.A. Harrison, Electronic Structure and the Properties of Solids, Dover, New York, 1988.
13. M.L. Cohen, J.R. Chelikowsky, in: W. Paul (Ed.), Handbook on Semiconductors, vol. 1, North-Holland, Amsterdam, 1982.
14. Kitamura M. Phys. Rev. B. 50:1994;18007.
15. Deegan R.A., Twose W.D. Phys. Rev. 164:1967;993.
16. Farberovich O.V., Kurganskii S.I., Domashevskaya E.P. Phys. Status Solidi B. 94:1979;51.
17. Farberovich O.V., Kurganskii S.I., Domashevskaya E.P. Phys. Status Solidi B. 97:1980;631.
18. Kurganskii S.I., Farberovich O.V. Phys. Status Solidi B. 106:1981;437.
19. Kitamura M. Phys. Rev. B. 49:1994;1564.
20. Kitamura M., Sugiura C., Muramatsu S. Phy. Rev. B. 39:1989;10288.
21. Kitamura M., Muramatsu S. Phys. Rev. B. 41:1990;1158.
22. Inoue H.R.P., Kitamura M., Wayman C.M., Chen H. Phil. Mag. Lett. 63:1991;345.
23. Kitamura M., Harrison W.A. Phys. Rev. B. 44:1991;7941.
24. Kitamura M., Muramatsu S., Harrison W.A. Phys. Rev. B. 46:1992;1351.
25. Holma M., Kitamura M., Chen H. J. Appl. Phys. 76:1994;451.
26. M. Kitamura, H. Chen, Ferroelectrics 206-207 (1999) 55.
27. Kitamura M., Chen H. Ferroelectrics. 210:1999;13.
28. J.C. Slater, The Calculation of Molecular Orbitals, Wiley, New York, 1979.
29. Kitamura M., Inoue K., Chen H. Mat. Chem. Phys. 56:1998;1.
30. Harmon B.N., Freeman A.J. Phys. Rev. B. 10:1974;1979.
31. Wiley J.S., Knight H.P. J. Electrochem. Soc. 111:1964;656.
32. W. Kohn, L.J. Sham, , Phys. Rev. 140 (1965) A1133.
33. Harris J., Jones R.O. J. Phys. F. 4:1974;1170.
34. Gunnarsson O., Johnson M., Lundqvist B.I. Phys. Rev. B. 20:1979;3136.
35. Ellis D.E., Painter G.S. Phys. Rev. B. 2:1970;2887.
36. Adachi H., Tukada M., Satoko C. J. Phys. Soc. Jpn. 45:1978;875.
37. Schwarz K. Phys. Rev. B. 5:1972;2466.
38. Kämper K.P., Schmitt W., Güntherodt G. Phys. Rev. Lett. 59:1987;2788.
39. R.M. Bozorth, Ferromagnetics, IEEE Press, New York, 1951.
40. Kubota B. J. Phys. Soc. Jpn. 15:1960;1706.
41. Nikolaev A.V., Andreev B.V. Sov. Phys. Solid States. 35:1993;603.