相关论文: Disorder-induced cubic phase in Fe$_2$-based Heusl…

Materials with correlated electrons often respond very strongly to external or internal influences, leading to instabilities and states of matter with broken symmetry. This behavior can be studied theoretically either by evaluating the…

${\it Ab}$ ${\it initio}$ electronic structure calculations reveal that tetragonal distortion has a dramatic effect on the relative stability of the various magnetic structures (C-, A-, G-, A$'$-AFM, and FM) of FeRh giving rise to a wide…

This work reports the structural instability at T=0 K of the U2Mo compound in the structure C11b under the distortion related to the C66 elastic constant. The electronic properties of U2Mo such density of states (DOS), bands and Fermi…

The antiferromagnet CaFe$_2$As$_2$ does not become superconducting when subject to ideal hydrostatic pressure conditions, where crystallographic and magnetic states also are well defined. By measuring electrical resistivity and magnetic…

Two-dimensional materials can stabilize crystal structures that are absent from their bulk counterparts, offering opportunities for materials design. Here, we report the synthesis of a previously unknown hexagonal Fe$_2$S$_2$ single layer…

The Heisenberg model on a face center cubic (fcc) lattice is a typical three-dimensional frustrated spin system expected to have magnetization plateaus and supersolid phases. There are model compounds $A_2$CoTeO$_6$ ($A$ = Ca, Sr, Pb) for…

We report the structural and magnetic behavior of single phase inverse Heusler alloys Cr$_2$Co$_{(1-x)}$Cr$_x$Al ($x = $ 0, 0.2, 0.4) using x-ray diffraction (XRD), Raman spectroscopy, isothermal magnetization, and magnetic susceptibility…

Due to their versatile composition and customizable properties, A$_2$BC Heusler alloys have found applications in magnetic refrigeration, magnetic shape memory effects, permanent magnets, and spintronic devices. The discovery of…

Magnetic and orbital structures in KCuF$_{3}$ are revisited by the cluster self-consistent field approach developed recently. We clearly showed that due to the inherent frustration, the ground state of the system with the superexchange and…

A caged compound CeOs2Al10, crystallizing in the orthorhombic YbFe2Al10-type structure, undergoes a mysterious phase transition at T_0=29 K. We report the results of electron diffraction, magnetization, and magnetoresistance for single…

The realization of the stable structure of Heusler compounds and the study of different properties is an important step for their potential application in spintronics and magnetoelectronic devices. In this paper, using the plane-wave…

Magnet-superconductor hybrid heterostructures constitute a promising candidate system for the quantum engineering of chiral topological superconductivity. Here, we investigate the stability of their topological phases in the presence of…

In this article, we investigated the effect of Cr substitution in place of Fe on the structural, magnetic and transport properties of $\mathrm{Co_2FeSi}$ alloy. A comprehensive structural analysis is done using X-ray diffraction (XRD) and…

Resistivity, magnetic susceptibility, neutron scattering and x-ray crystallography measurements were used to study the evolution of magnetic order and crystallographic structure in single-crystal samples of the Ba1-xSrxFe2As2 and…

In contrast to the previous reports that the divalent perovskite SrCrO$_3$ was believed to be cubic structure and nonmagnetic metal, recent measurements suggest coexistence of majority tetragonally distorted weak antiferromagnetic phase and…

We report the magnetism and transport properties of the Heusler compound Fe2+xV1-xAl at -0.10 < x < 0.10 under pressure and a magnetic field. A metal-insulator quantum phase transition occurred at x = -0.05. Application of pressure or a…

We theoretically study the conductivity of a disordered 2D metal when it is coupled to ferromagnetic magnons with a quadratic spectrum and a gap $\Delta$. In the diffusive limit, a combination of disorder and magnon-mediated electron…

Using {\it ab initio} molecular dynamics we investigate the electronic and lattice structure of $A$Fe$_2$As$_2$ ($A$=Ca, Sr, Ba) under pressure. We find that the structural phase transition (orthorhombic to tetragonal symmetry) is always…

Elucidating the nature of the magnetic ground state of iron-based superconductors is of paramount importance in unveiling the mechanism behind their high temperature superconductivity. Until recently, it was thought that superconductivity…

First-principle calculations were performed within the framework of the density functional theory (DFT) using FP-LAPW method as implemented in WIEN2k code to determine the structural stability, electronic and magnetic properties of…