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Exact Diagonalization Study of Real Materials

Published online by Cambridge University Press:  01 January 1992

Changfeng Chen
Changfeng Chen*
Affiliation:
Department of Physics, University of Nevada, Las Vegas, Nevada 89154, USA
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Abstract

We report some recent developments in theoretical modeling of real 3d magnetic materials, particularly interface and ultrathin-film structures. We focus on many-body correlation effects and describe the method of modeling realistic strongly correlated electron systems using and going beyond die local-density-approximation single-particle electronic structures. Group-theoretical techniques and high-performance computing facilities are systematically used in this work. Fundamental spectroscopic properties of several prototypical 3d transition-metal systems have been obtained and new features induced by many-body correlation have been discovered. Results will be presented and discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 253
Copyright
Copyright © Materials Research Society 1993

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References

REFERENCES

1.For a review, see, e.g., Mathon, J., Prog. Theor. Phys. 51, 1 (1988); Jones, R.O. and Gunnarsson, O., Rev. Mod. Phys. 61, 689 (1989).Google Scholar
2. Norman, M.R., Phys. Rev. Lett. 64, 1162, 2466 (1990); Phys. Rev. B 44, 1364 (1991); Anisimov, V.I., et al. , Phys. Rev. B 44, 943 (1991); Mizokawa, T., et al. , Phys. Rev. Lett. 67, 1638 (1991); Eskes, H., et al. , ibid. 67, 1035 (1991); Dagotto, E., et al. , ibid. 67, 1918 (1991).Google Scholar
3. Luehrmann, A.W., Adv. Phys. 17, 1 (1968).Google Scholar
4.For a recent survey, see Freericks, J.K. and Falicov, L.M., Phys. Rev. B42, 4960 (1990).Google Scholar
5. Chen, Changfeng, Int. J. Mod. Phys. B 5, 1147 (1991).Google Scholar
6. Chen, Changfeng, Phys. Rev. B (Rapid Communications) 45, 13811 (1992).Google Scholar
7. Tersoff, J. and Falicov, L.M., Phys. Rev. B 25, 2959 (1982); 26, 6186 (1982).Google Scholar
8. Tersoff, J. and Falicov, L.M., Phys. Rev. B 26,459 (1982).Google Scholar
9. Slater, J.C. and Koster, G. F., Phs. Rev. 94, 1498 (1954); corrected and expanded to include f electrons by Sharma, R.R., Phys. Rev. B 19, 2813 (1979).Google Scholar
10. Papaconstantopoulos, D.A., Handbook of the Band Structure of Elemental Solids (Plenum,New York, 1986).Google Scholar
11. Tinkham, M., Group Theory and Quantum Mechanics (McGraw-Hill, New York, 1964).Google Scholar
12. Victora, R.H. and Falicov, L.M., Phys. Rev. Lett. 55, 1140 (1985).Google Scholar