Multiple crossovers and coherent states in a Mott-Peierls insulator

Abstract

We consider the dimer Hubbard model within Dynamical Mean Field Theory to study the interplay and competition between Mott and Peierls physics. We describe the various metal-insulator transition lines of the phase diagram and the break down of the different solutions that occur along them. We focus on the specific issue of the debated Mott-Peierls insulator crossover and describe the systematic evolution of the electronic structure across the phase diagram. We found that at low intra-dimer hopping the emerging local magnetic moments can unbind above a characteristic singlet temperature $T^{\ast }$. Upon increasing the inter-dimer hopping subtle changes occur in the electronic structure. Notably, we find Hubbard bands of a mix character with coherent and incoherent excitations. We argue that this state is relevant for VO${}_2$ and its signatures may be observed in spectroscopic studies, and possibly through pump-probe experiments.

17 pages, 17 figures

References in corpus (6)

• Mott transition in VO2 revealed by infrared spectroscopy and nano-imaging
• Hybridization expansion impurity solver: General formulation and application to Kondo lattice and two-orbital models
• VO2: A Novel View from Band Theory
• Direct Observation of Decoupled Structural and Electronic Transitions and an Ambient Pressure Monoclinic-Like Metallic Phase of VO${}_2$
• Effective band-structure in the insulating phase versus strong dynamical correlations in metallic VO2
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• Interlayer Hopping between Surface Mott Insulator and Bulk Band Insulator in layered 1T-TaS_{2}
• Topical review: the nature of the ground state and possibility of a quantum spin liquid in 1T metal dichalcogenides