Finite-temperature Gutzwiller approximation and the phase diagram of a toy-model for V2O3

Abstract

We exploit exact inequalities that refer to the entropy of a distribution to derive a simple variational principle at finite temperature for trial density matrices of Gutzwiller and Jastrow type. We use the result to extend at finite temperature the Gutzwiller approximation, which we apply to study a two-orbital model that we believe captures some essential features of V${}_2$O${}_3$. We indeed find that the phase diagram of the model bears many similarities to that of real vanadium sesquioxide. In addition, we show that in a Bethe lattice, where the finite temperature Gutzwiller approximation provides a rigorous upper bound of the actual free energy, the results compare well with the exact phase diagram obtained by the dynamical mean field theory.

11 pages, 7 figures

References in corpus (6)

• VO2: A Novel View from Band Theory
• Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3
• Efficient implementation of the Gutzwiller variational method
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• Gutzwiller description of non-magnetic Mott insulators: a dimer lattice model
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