Related papers: Ordering effects in 2D hexagonal systems of binary…

We report a detailed investigation of the magnetic order in 192 stable magnetic two-dimensional materials from the Computational 2D Materials Database having one magnetic atom in the unit cell. The calculations are based on a systematic…

Incommensurate (IC) charge-order (CO) and spin density wave (SDW) order in electron doped SrMn1-xWxO3-{\delta} (x= 0.08 to 0.1875) have been studied using neutron diffraction.The study highlights the drastic effect of electron doping on the…

We study a Maxwell-$CP(2)$ model coupled to a real scalar field through a dielectric function multiplying the Maxwell term. In such a context, we look for first-order rotationally symmetric solitons by means of the Bogomol'nyi algorithm,…

To sum up, we show in the present paper that magnetic response in Nb$_2$O$_2$F$_3$ at the high-temperatures ($T>$90 K) is related to the orbital selective regime, when part of the electrons form molecular orbitals while other electrons have…

Recent experiments show that charge-density-wave correlations are prevalent in underdoped cuprate superconductors. The correlations are short ranged at weak magnetic fields but their intensity and spatial extent increase rapidly at low…

Orderings in charge and spin have been extensively studied to unravel their correlation to emergent superconductivity over the past decades. Bragg-Williams order (BWO), a classical structural order parameter describing site occupancy in…

The presence, nature, and impact of chemical short-range order in the multi-principal element alloy CrCoNi are all topics of current interest and debate. First-principles calculations reveal that its origins are fundamentally magnetic,…

We combine the BCS self-consistency condition, a semiclassical expansion for the spectral density and interaction matrix elements to describe analytically how the superconducting gap depends on the size and shape of a 2d and 3d…

A general method is presented for modeling high entropy alloys as ensembles of randomly sampled, ordered configurations on a given lattice. Statistical mechanics is applied post hoc to derive the ensemble properties as a function of…

Using Korringa-Kohn-Rostoker coherent-potential approximation in the atomic-sphere approximation (KKR-ASA CPA) method for taking into account the effects of disorder, Gaspari-Gyorffy formalism for calculating the electron-phonon coupling…

The AlCrTiV high entropy alloy undergoes an order-disorder transition from body centered cubic (Strukturbericht A2) at high temperatures to the CsCl structure (B2) at intermediate temperatures. We model this transition using first…

Recently, there has been a resurgence of intense experimental and theoretical interest on the Kondo physics of nanoscopic and mesoscopic systems due to the possibility of making experiments in extremely small samples. We have carried out…

We investigate the structure of 13-particle clusters in binary alloys for various size ratios and different concentrations via MD simulation. Our goal is to predict which systems are likely to form local icosahedral structures when rapidly…

There is a growing interest, inspired by advances in technology, in the low temperature physics of thin films. These quasi-2D systems show a wide range of ordering effects including formation of striped states, reorientation transitions,…

The effect of chemical short-range order (CSRO) on primary radiation damage in MoNbTaVW high-entropy alloys is investigated using hybrid Monte Carlo/molecular dynamics simulations with a machine-learned potential. We show that CSRO enhances…

The phase stability of fcc and bcc magnetic binary Fe-Cr, Fe-Ni, Cr-Ni alloys and ternary Fe-Cr-Ni alloys is investigated using a combination of density functional theory (DFT), Cluster Expansion (CE) and Magnetic Cluster Expansion (MCE).…

We here study electronic structure and magnetic properties of disordered CoPd and CoPt alloys using Augmented Space Recursion technique coupled with the tight-binding linearized muffin tin orbital (TB-LMTO) method. Effect of short range…

One of the not-yet determined properties of neutrinos is the ordering of their mass eigenstates. We combine the available data from neutrino oscillations, neutrinoless double beta decay and Cosmic Microwave Background observations to derive…

Using high-accuracy variational Monte Carlo based on group-convolutional neural networks (GCNNs), we obtain the symmetry-resolved low-energy spectrum of the spin-1/2 Heisenberg model on several highly symmetric fullerene geometries,…

We build random forests models to predict elastic properties and mechanical hardness of a compound, using only its chemical formula as input. The model training uses over 10,000 target compounds and 60 features based on stoichiometric…