Related papers: Locality of Interatomic Forces in Tight Binding Mo…
We consider atomistic geometry relaxation in the context of linear tight binding models for point defects. A limiting model as Fermi-temperature is sent to zero is formulated, and an exponential rate of convergence for the nuclei…
A key starting assumption in many classical interatomic potential models for materials is a site energy decomposition of the potential energy surface into contributions that only depend on a small neighbourhood. Under a natural stability…
The tight binding model is a minimal electronic structure model for molecular modelling and simulation. We show that the total energy in this model can be decomposed into site energies, that is, into contributions from each atomic site…
Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are typically required. Circumventing the need for performing many…
We characterize the Mott insulating regime of a repulsively interacting Fermi gas of ultracold atoms in a three-dimensional optical lattice. We use in-situ imaging to extract the central density of the gas, and to determine its local…
We study finite-temperature properties of strongly correlated fermions in two-dimensional optical lattices by means of numerical linked cluster expansions, a computational technique that allows one to obtain exact results in the…
The density of states and chemical potential as functions of temperature and filling degree of energy band were calculated. It was shown the peculiarity of concentration and temperature behavior of chemical potential is stipulated by Fermi…
The various thermodynamic functions dependence on degree of energy band occupation and temperature was studied. The one-band tight binding approximation for the electron energy spectrum was used. The Fermi energy, density of states,…
We design an interaction-driven topological insulator for fermionic cold atoms in an optical lattice, that is, we pose the question of whether we can realize in a continuous space a spontaneous symmetry breaking induced by the inter-atom…
In traditional thermodynamics, temperature is a local quantity: a subsystem of a large thermal system is in a thermal state at the same temperature as the original system. For strongly interacting systems, however, the locality of…
Tight-binding models for ultracold atoms in optical lattices can be properly defined by using the concept of maximally localized Wannier functions for composite bands. The basic principles of this approach are reviewed here, along with…
The locality of thermal quantum states has emerged as a key input for applications to thermalization, response theory, and efficient simulability. Locality is either captured by the decay of correlations or by local indistinguishability,…
The recently discovered universal thermodynamic behaviour of dilute, strongly interacting Fermi gases also implies a universal structure in the many-body pair-correlation function at short distances, as quantified by the contact ${\cal I}$.…
We propose a spin-dependent optical lattice potential that realizes a three-dimensional antiferromagnetic topological insulator in a gas of cold, two-state fermions such as alkaline earths, as well as a model that describes the…
We show that the local density of states (LDOS) of a wide class of tight-binding models has a weak body-order expansion. Specifically, we prove that the resulting body-order expansion for analytic observables such as the electron density or…
Spinless fermions on highly frustrated lattices are characterized by a lowest single-particle band which is completely flat. Concrete realizations are provided by the sawtooth chain and the kagome lattice. For these models a real-space…
Topological insulators are solid state systems of independent electrons for which the Fermi level lies in a mobility gap, but the Fermi projection is nevertheless topologically non-trivial, namely it cannot be deformed into that of a normal…
Fermi gases with magnetically tunable interactions provide a clean and controllable laboratory system for modeling interparticle interactions between fermions in nature. The s-wave scattering length, which is dominant a low temperature, is…
We consider a tight binding model for localised crystalline defects with electrons in the canonical ensemble (finite electronic temperature) and nuclei positions relaxed according to the Born--Oppenheimer approximation. We prove that the…
Thermal equilibrium states of local quantum many-body systems are notorious for their spatially decaying correlations, which place severe restrictions on the types of many-body entanglement structures that may be observed at finite…