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On-Site Correlation in Narrow Band Materials

Published online by Cambridge University Press:  10 February 2011

F. Manghi ,
V. Bellini ,
M. Rontani  and
C. Arcangeli
F. Manghi
Affiliation:
Istituto Nazionale per la Fisica della Materia and Dipartimento di Fisica, Università di Modena, Via Campi 213/a, I-41100 Modena, Italy
V. Bellini
Affiliation:
Istituto Nazionale per la Fisica della Materia and Dipartimento di Fisica, Università di Modena, Via Campi 213/a, I-41100 Modena, Italy
M. Rontani
Affiliation:
Istituto Nazionale per la Fisica della Materia and Dipartimento di Fisica, Università di Modena, Via Campi 213/a, I-41100 Modena, Italy
C. Arcangeli
Affiliation:
Max-Planck-Institut für Festkörperforschung, Heisenbergstr. 1, D-70569 Stuttgart, Germany
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Abstract

We present the results of a recently developed approach where the interplay between the itinerant and localized character of electrons in narrow band materials is described by adding on-site correlation effects to a realistic band calculation: the single particle band states are treated as mean field solutions of a multi-orbital Hubbard Hamiltonian and the many-body term associated with localized e-e interaction is described in a configuration-interaction scheme. Quasi-particle states of nickel and CuGe03 have been calculated and compared with spectroscopical results.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 491: Symposium R – Tight Binding Approach to Computational Materials Science , 1997 , 179
Copyright
Copyright © Materials Research Society 1998

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References

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