Related papers: Physical properties of the tetragonal CuMnAs: a fi…
Two-dimensional (2D) metallic lattices with kagome topology provide a unique platform for exploring the interplay between geometric frustration, reduced coordination, and lattice stability in elemental systems. Motivated by the recent…
The physical properties of arbitrary half-integer spins F = N - 1/2 fermionic cold atoms loaded into a one-dimensional optical lattice are investigated by means of a conformal field theory approach. We show that for attractive interactions…
We present results from a detailed experimental investigation of LaFeAsO, the parent material in the series of "FeAs" based oxypnictide superconductors. Upon cooling this material undergoes a tetragonal-orthorhombic crystallographic phase…
The Kondo lattice model with Hund's ferromagnetic spin coupling is investigated as a microscopic model of the perovskite-type $3d$ manganese oxide (R,A)MnO$_3$ where $R$ and $A$ are rare earth element and alkaline earth element,…
A detailed investigation of the first order antiferromagnetic insulator (AFI) to ferromagnetic metal (FMM) transition in $Nd{_{0.5}}Sr{_{0.5}}MnO{_{3}}$ is carried out by resistivity and magnetization measurements. These studies reveal…
Intrinsically low lattice thermal conductivity ($\kappa_l$) is a desired requirement in many crystalline solids such as thermal barrier coatings and thermoelectrics. Here, we design an advanced machine-learning (ML) model based on crystal…
Based on the first principle calculation, we propose a new class of high-$T_c$ half-heusler ferromagnets NiMnZ (Z = Si, P, Ge, As). The structural and magnetic properties are investigated through the calculation of the electronic structure,…
The temperature dependence of thermodynamic and mechanical properties of six fcc transition metals (Ni, Cu, Ag, Au, Pt, Rh) and the alloying behavior of Ag-Au and Cu-Ni are studied using molecular dynamics (MD). The structures are described…
Ultra-thin FeAs is of interest both as the active component in the newly identified pnictide superconductors, and in spintronic applications at the interface between ferromagnetic Fe and semiconducting GaAs. Here we use first-principles…
Using continuous-space quantum Monte Carlo methods we investigate the zero-temperature ferromagnetic behavior of a two-component repulsive Fermi gas under the influence of periodic potentials that describe the effect of a simple-cubic…
It is shown that a quasi two dimensional (layered) Heisenberg antiferromagnet with fully frustrated interplane couplings ({\it e.g.} on a body-centered tetragonal lattice) generically exhibits two thermal phase transitions with lowering…
We study a three-component fermionic fluid in an optical lattice in a regime of intermediate-to- strong interactions allowing for Raman processes connecting the different components, similar to those used to create artificial gauge fields…
Transport properties are among the defining characteristics of many important phases in condensed matter physics. In the presence of strong correlations they are difficult to predict even for model systems like the Hubbard model. In real…
Heavy fermion materials are compounds in which localized $f$-orbitals hybridize with delocalized $d$ ones, leading to quasiparticles with large renormalized masses. The presence of strongly correlated $f$-electrons at the Fermi level may…
Spin-1/2 chains with alternating antiferromagnetic (AF) and ferromagnetic (FM) couplings exhibit quantum entanglement like the integer-spin Haldane chains and might be similarly utilized for quantum computations. Such alternating AF-FM…
We have investigated the effect of hydrostatic pressure and temperature on phase stability of hydro-nitrogen solids using dispersion corrected Density Functional Theory calculations. From our total energy calculations, Ammonium Azide (AA)…
Density-functional simulations are used to calculate structural properties and high-symmetry phonons of the hypothetical cubic phase, the stable orthorhombic phase and an intermediate tetragonal phase of magnesium silicate perovskite. We…
Since the initial discovery of two-dimensional van der Waals (vdW) materials, significant effort has been made to incorporate the three properties of magnetism, band structure topology, and strong electron correlations $-$ to leverage…
Temperature-dependent dynamical spin correlations, which can be readily accessed via a variety of experimental techniques, hold the potential of offering a unique fingerprint of quantum spin liquids and other intriguing dynamical states. In…
Several static and dynamic properties of liquid Cu, Ag and Au at thermodynamic states near their respective melting points, have been evaluated by means of the orbital free ab-initio molecular dynamics simulation method. The calculated…