EXACT SOLUTION OF A FOUR-SITE CRYSTAL MODEL FOR AN INTERMEDIATE-VALENCE SYSTEM.

J. C. Parlebas; R. H. Victora; L. M. Falicov

doi:10.1051/jphys:019860047060102900

EXACT SOLUTION OF A FOUR-SITE CRYSTAL MODEL FOR AN INTERMEDIATE-VALENCE SYSTEM.

J. C. Parlebas, R. H. Victora, L. M. Falicov

Electrical and Computer Engineering

Research output: Contribution to journal › Article › peer-review

23 Scopus citations

Abstract

An exact solution of a four-site tetrahedral crystal model, the smallest face-centered cubic crystal, is presented for the case of an intermediate-valence system. The model consists of: (a) one extended and one localized orbitals per atom; (b) an interatomic transfer term between the extended orbitals; (c) an interatomic hybridization term between extended and localized orbitals; and (d) a strong intraatomic Coulomb repulsion between opposite-spin localized states. Many-body eigenstates and eigenvalues of the Hamiltonian are calculated exactly with the aid of the symmetry of the crystal for the case of one electron per atom, which corresponds to metallic cerium.

Original language	English (US)
Pages (from-to)	1029-1034
Number of pages	6
Journal	Journal de physique Paris
Volume	47
Issue number	6
DOIs	https://doi.org/10.1051/jphys:019860047060102900
State	Published - Jan 1 1986

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title = "EXACT SOLUTION OF A FOUR-SITE CRYSTAL MODEL FOR AN INTERMEDIATE-VALENCE SYSTEM.",

abstract = "An exact solution of a four-site tetrahedral crystal model, the smallest face-centered cubic crystal, is presented for the case of an intermediate-valence system. The model consists of: (a) one extended and one localized orbitals per atom; (b) an interatomic transfer term between the extended orbitals; (c) an interatomic hybridization term between extended and localized orbitals; and (d) a strong intraatomic Coulomb repulsion between opposite-spin localized states. Many-body eigenstates and eigenvalues of the Hamiltonian are calculated exactly with the aid of the symmetry of the crystal for the case of one electron per atom, which corresponds to metallic cerium.",

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AU - Victora, R. H.

AU - Falicov, L. M.

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N2 - An exact solution of a four-site tetrahedral crystal model, the smallest face-centered cubic crystal, is presented for the case of an intermediate-valence system. The model consists of: (a) one extended and one localized orbitals per atom; (b) an interatomic transfer term between the extended orbitals; (c) an interatomic hybridization term between extended and localized orbitals; and (d) a strong intraatomic Coulomb repulsion between opposite-spin localized states. Many-body eigenstates and eigenvalues of the Hamiltonian are calculated exactly with the aid of the symmetry of the crystal for the case of one electron per atom, which corresponds to metallic cerium.

AB - An exact solution of a four-site tetrahedral crystal model, the smallest face-centered cubic crystal, is presented for the case of an intermediate-valence system. The model consists of: (a) one extended and one localized orbitals per atom; (b) an interatomic transfer term between the extended orbitals; (c) an interatomic hybridization term between extended and localized orbitals; and (d) a strong intraatomic Coulomb repulsion between opposite-spin localized states. Many-body eigenstates and eigenvalues of the Hamiltonian are calculated exactly with the aid of the symmetry of the crystal for the case of one electron per atom, which corresponds to metallic cerium.

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