Journal
PHYSICAL REVIEW B
Volume 80, Issue 15, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.80.155116
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Funding
- Studienstiftung des Deutschen Volkes
- DFG [SFB 484]
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We study a model of a covalent band insulator with on-site Coulomb repulsion at half filling using dynamical mean-field theory. Upon increasing the interaction strength the system undergoes a discontinuous transition from a correlated band insulator to a Mott insulator with hysteretic behavior at low temperatures. Increasing the temperature in the band insulator close to the insulator-insulator transition we find a crossover to a Mott insulator at elevated temperatures. Remarkably, correlations decrease the energy gap in the correlated band insulator. The gap renormalization can be traced to the low-frequency behavior of the self-energy, analogously to the quasiparticle renormalization in a Fermi liquid. While the uncorrelated band insulator is characterized by a single gap for both charge and spin excitations, the spin gap is smaller than the charge gap in the correlated system.
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