Related papers: Optimization of alloy-analogy-based approaches to …
We develop an analytical expression for the self-energy of the infinite-dimensional Hubbard model that is correct in a number of different limits. The approach represents a generalization of the iterative perturbation theory to arbitrary…
High entropy alloys (HEA) represent a class of materials with promising properties, such as high strength and ductility, radiation damage tolerance, etc. At the same time, a combinatorially large variety of compositions and a complex…
A self-consistent spectral density approach (SDA) is applied to the Hubbard model to investigate the possibility of spontaneous ferro- and antiferromagnetism. Starting point is a two-pole ansatz for the single-electron spectral density, the…
We present results of systematic fully relativistic first-principles calculations of the uniaxial magnetic anisotropy energy (MAE) of a disordered and partially ordered tetragonal Fe-Co alloy using the coherent potential approximation…
We consider the change in electron localization due to the presence of electron-electron repulsion in the \HA model. Taking into account local Mott-Hubbard physics and static screening of the disorder potential, the system is mapped onto an…
The magnetic behavior of thin ferromagnetic itinerant-electron films is investigated within the strongly correlated single-band Hubbard model. For its approximate solution we apply a generalization of the modified alloy analogy (MAA) to…
Magnetic and electronic properties of the Hubbard model on the Bethe and fcc lattices in infinite dimensions have been investigated numerically on the basis of the dynamical coherent potential approximation (CPA) theory combined with the…
We introduce a new aproximation scheme for the periodic Anderson model (PAM). The modified alloy approximation represents an optimum alloy approximation for the strong coupling limit, which can be solved within the CPA-formalism.…
Using a combination of numerical and analytical calculations, we study the disorder-induced zero bias anomaly (ZBA) in the density of states of strongly-correlated systems modeled by the two dimensional Anderson-Hubbard model. We find that…
High entropy alloys (HEA) show promise as a new type of high-performance structural material. Their vast degrees of freedom provide for extensive opportunities to design alloys with tailored properties. However, the compositional…
In non-self-consistent calculations of the total energy within the random-phase approximation (RPA) for electronic correlation, it is necessary to choose a single-particle Hamiltonian whose solutions are used to construct the electronic…
An essentially exact solution of the infinite dimensional Hubbard model is made possible by using a self-consistent mapping of the Hubbard model in this limit to an effective single impurity Anderson model. Solving the latter with quantum…
We propose a new treatment of the Hubbard model that is based both on the coherent-potential approximation (CPA) and the virtual-crystal approximation (VCA). It is well known that the equilibrium found using the one-particle CPA Green's…
Physical insight into plasma evolution in the magnetohydrodynamic (MHD) limit can be revealed by decomposing the evolution according to the characteristic modes of the system. In this paper we explore aspects of the eigenenergy…
In the binary-alloy with composition A$_x$B$_{1-x}$ of two atoms with ionic energy scales $\pm\Delta$, an apparent Ander- son insulator (AI) is obtained as a result of randomness in the position of atoms. Using our recently developed…
We study the effect of strong correlations on the zero bias anomaly (ZBA) in disordered interacting systems. We focus on the two-dimensional extended Anderson-Hubbard model, which has both on-site and nearest-neighbor interactions on a…
High-entropy alloys (HEAs) refer to alloys composed of five or more elements in equal or near-equal amounts or in an atomic concentration range of 5 to 35 atomic percent (at%). Different elemental ratios will affect the microstructures of…
Momentum dependent local-ansatz wavefunction approach (MLA) to the correlated electron systems in solids has been further developed to solve best a self-consistent equation for variational parameters at non half-filling. With use of the…
Designing high-entropy alloys (HEAs) that are both mechanically hard and possess soft magnetic properties is inherently challenging, as a trade-off is needed for mechanical and magnetic properties. In this study, we optimize HEA…
We compute the self-energy for the half-filled Hubbard model on a square lattice using lattice quantum Monte Carlo simulations and the dynamical vertex approximation. The self-energy is strongly momentum dependent, but it can be…