Related papers: Thermally assisted ordering in Mott insulators
The orbital, lattice, and spin ordering phenomena in KCuF3 are investigated by means of LDA+U calculations, based on ab-initio pseudopotentials.We examine the Cu-3d orbital ordering and the associated Jahn-Teller distortion in several…
We evaluate the thermodynamic properties of the 4-state antiferromagnetic Potts model on the Union- Jack lattice using tensor-based numerical methods. We present strong evidence for a previously unknown, "entropy-driven," finite-temperature…
The electronic band structure can change with temperature in Mott and Kondo insulators, even without a phase transition. Here, to clarify the underlying mechanism, the spectral function at nonzero temperature is studied. By considering…
A short introduction to the complex phenomena encountered in transition metal oxides with either charge or orbital or joint charge-and-orbital order, usually accompanied by magnetic order, is presented. It is argued that all the types of…
Topological phase transition in a single material usually refers to transitions between a trivial band insulator and a topological Dirac phase, but the transition may also occur between different classes of topological Dirac phases.…
Orbital degrees of freedom shape many of the properties of a wide class of Mott insulating, transition metal oxides with partially filled 3d-shells. Here we study orbital ordering transitions in systems where a single electron occupies the…
Motivated by the direct observation of electronic phase separation in first-order Mott transitions, we model the interface between the thermodynamically coexisting metal and Mott insulator. We show how to model the required slab geometry…
Currently used methods for the description of thermodynamics of ferroelectric thin films (Landau theory or ab initio based Monte-Carlo simulations) are based on an energy expansion in terms of internal degrees of freedom. It was shown that…
We explore the phase diagram of the Mott metal-insulator transition (MIT), focusing on the effects of particle-hole asymmetry (PHA) in the single-band Hubbard model. Our dynamical mean-field theory (DMFT) study reveals that the introduction…
Coupling between different degrees of freedom (DOF) in an electronic material leads to exotic phases of matter characterized by complex and competing order parameters as well as emergent excitations. Building a microscopic understanding of…
In this work we discuss the measurement protocols for indirect determination of the isothermal entropy change associated with first order phase transitions in caloric materials. The magneto- structural phase transitions giving rise to giant…
We describe implementation and analysis of a first-principles theory, derived in an earlier work, for the leading terms in an expansion of a Gibbs free energy of a multi-component alloy in terms of order parameters that characterize…
Phase transitions impose topological constraints on thermodynamic state variables, masking energetic fluctuations at the phase boundary. This constraint is most apparent in melting systems, where temperature remains pinned despite continued…
We discuss the solution of the Mott transition problem in a fully frustrated lattice with a semicircular density of states in the limit of infinite dimensions from the point of view of a Landau free energy functional. This approach provides…
We study the doping-driven Mott metal-insulator transition for multi-orbital Hubbard models with Hund's exchange coupling at finite temperatures. As in the single-orbital Hubbard model, the transition is of first-order within dynamical mean…
We develop a fully microscopic, statistical mechanics approach to study phase transitions in Ising systems with competing interactions at different scales. Our aim is to consider orientational and positional order parameters in a unified…
Ab initio investigations of structural, electronic, and dynamical properties of the high-temperature $\beta$ phase of copper pyrophosphate were performed using density functional theory. The electronic band structure shows the Mott…
The phase diagram of correlated, disordered electrons is calculated within dynamical mean--field theory using the geometrically averaged (''typical'') local density of states. Correlated metal, Mott insulator and Anderson insulator phases,…
Topological phase transitions challenge conventional paradigms in many-body physics by separating phases that are locally indistinguishable yet globally distinct. Using a quantum simulator of interacting erbium atoms in an optical lattice,…
We study temperature dependence of diagonal conductivity at half filled Landau level by means of the theory of composite fermions in the weakly disordered regime $(k_{F}l>>1)$. At low temperatures we find the leading $\log T$ correction…