Related papers: Approximating Densities of States with Gaps
Classical ground states (global energy-minimizing configurations) of many-particle systems are typically unique crystalline structures, implying zero enumeration entropy of distinct patterns (aside from trivial symmetry operations). By…
We developed a method for calculating solid-state ground-state properties and fundamental band-gaps using a generalized Kohn-Sham approach combining a local density approximation (LDA) functional with a long-range explicit exchange orbital…
This work contains two single-letter upper bounds on the entropy rate of a discrete-valued stationary stochastic process, which only depend on second-order statistics, and are primarily suitable for models which consist of relatively large…
We have found a way to analyze Edwards' density of states for static granular packings in the special case of round, rigid, frictionless grains assuming constant coordination number. It obtains the most entropic density of single grain…
The bulk boundary correspondence, one of the most significant features of topological matter, theoretically connects the existence of edge modes at the boundary with topological invariants of the bulk spectral bands. However, it remains…
We establish a procedure to find the extremal density matrices for any finite Hamiltonian of a qudit system. These extremal density matrices provide an approximate description of the energy spectra of the Hamiltonian. In the case of…
Hyperuniform states are an efficient way to fill up space for disordered systems. In these states the particle distribution is disordered at the short scale but becomes increasingly uniform when looked at large scales. Hyperuniformity…
Equilibrium crystal structures, electron band dispersions and band gap values of layered GaSe and InSe semiconductors, each being represented by four polytypes, are studied via first-principles calculations within the density functional…
Plane wave density functional theory codes generally assume periodicity in all three dimensions. This causes difficulties when studying charged systems, for instance energies per unit cell become infinite, and, even after being renormalised…
We present calculated, electronic and related properties of wurtzite cadmium sulfide (w-CdS). Our ab-initio, non-relativistic calculations employed a local density functional approximation (LDA) potential and the linear combination of…
In the framework of four-band model of superconductivity in iron arsenides proposed by Barzykin and Gor'kov we analyze the gap ratios on hole - like and electron - like Fermi - surface cylinders. It is shown that experimentally observed…
Creating amorphous solid states by randomly bonding an ensemble of dense liquid monomers is a common procedure which is applied to create a variety of materials such as epoxy resins, colloidal gels, and vitrimers. The properties of the…
In this paper we analyze, using scanning tunneling spectroscopy, the density of electronic states in nearly optimally doped BSCCO in zero field. Focusing on the superconducting gap, we find patches of what appear to be two different phases…
Evolution of charged quantum fields under the action of constant nonuniform electric fields is studied. To this end we construct a special generating functional for density operators of the quantum fields with different initial conditions.…
The BCS results for the superconducting gap $\Delta$ and $T_C$ are obtained from a one-particle model. Superconductivity appears when the electronic energy gains of the band structure surpass the energy needed for atomic vibrations or…
The non-equilibrium Green's function formalism for infinitely extended reservoirs coupled to a finite system can be derived by solving the equations of motion for a tight-binding Hamiltonian. While this approach gives the correct density…
We examine the formation of bound states on a generalized nonlinear impurity located at or near the beginning (surface) of a linear, tight-binding semi-infinite lattice. Using the formalism of lattice Green functions, we obtain in closed…
In the present work we revisit the problem of the quantum droplet in atomic Bose-Einstein condensates with an eye towards describing its ground state in the large density, so-called Thomas-Fermi limit. We consider the problem as being…
In this study, we confirm the universality of density of microscopic states in non-interacting system; this means statistical interdependence is vanished in any lattices. This enable one to obtain information of configuration of solute…
During a spontaneous change, a macroscopic physical system will evolve towards a macro-state with more realizations. This observation is at the basis of the Statistical Mechanical version of the Second Law of Thermodynamics, and it provides…