Multiband Gutzwiller wave functions for general on-site interactions

被引:215
作者
Bunemann, J [1 ]
Weber, W
Gebhard, F
机构
[1] Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany
[2] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France
关键词
D O I
10.1103/PhysRevB.57.6896
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We introduce Gutzwiller wave functions for multiband models with general on-site Coulomb interactions. As these wave functions employ correlators for the exact atomic eigenstates, they are exact both in the noninteracting and atomic limits. We evaluate them in infinite lattice dimensions for all interaction strengths without any restrictions on the structure of the Hamiltonian or the symmetry of the ground state. The results for the ground-state energy allow us to derive an effective one-electron Hamiltonian for Landau quasiparticles, applicable for finite temperatures and frequencies within the Fermi-liquid regime. As applications for a two-band model we study the Brinkman-Rice metal-to-insulator transition at half-band-filling, and the transition to itinerant ferromagnetism for two specific fillings, at and close to a peak in the density of states of the noninteracting system. Our results significantly differ from those for earlier Gutzwiller wave functions where only density-type interactions were included. When the correct spin symmetries for the two-electron states are taken into account, the importance of the Hund's-rule exchange interaction is even more pronounced, and leads to paramagnetic metallic ground states with large local magnetic moments. Ferromagnetism requires fairly large interaction strengths, and the resulting ferromagnetic state is a strongly correlated metal.
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收藏
页码:6896 / 6916
页数:21
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