Related papers: Magneto-structural transformations via a solid-sta…
Marcasite-type compounds have been proposed as promising hosts of exotic magnetic quantum states, yet experimental realizations in stoichiometric, disorder-free systems remain limited. Here, we report the high-pressure stabilization and…
We investigate the effect of pressure on the electronic and magnetic states of CdV$_2$O$_4$ by using ab initio electronic structure calculations. The Coulomb correlation and spin-orbit coupling play important role in deciding the…
MnP is a metal that shows successive magnetic transitions from paramagnetic to ferromagnetic and helical magnetic phases at ambient pressure with decreasing temperature. With applied pressure, the magnetic transition temperatures decrease…
A coupling of the first-order paramagnetic-to-induced-ferromagnetic martensitic and the second-order antiferromagnetic-to-ferromagnetic metamagnetic transitions was found in MnNi0.8Fe0.2Ge alloy. Based on the coupling, a magneto-volume…
High pressure electrical resistivity and x-ray diffraction experiments have been performed on Fe single crystals. The crystallographic investigation provides direct evidence that in the martensitic $bcc \rightarrow hcp$ transition at 14 GPa…
The high-pressure behavior of two Mn-based honeycomb-structured magnetoelectric materials, Mn4Nb2O9 (MNO) and Mn4Ta2O9 (MTO), was investigated using Raman spectroscopy, synchrotron x-ray diffraction, and density functional theory (DFT)…
We report a detailed experimental and theoretical study on the effect of hydrostatic pressure on the structural and magnetic aspects of the layered honeycomb antiferromagent $\alpha$-RuCl$_{3}$. Magnetic susceptibility measurements…
We present an accurate study of the static-nucleus electronic energy band gap of solid molecular hydrogen at high pressure. The excitonic and quasiparticle gaps of the $C2/c$, $Pc$, $Pbcn$, and $P6_3/m$ structures at pressures of 250, 300,…
Magnetization maesurements under hydrostatic pressure were performed on an S=1/2 coupled spin system TlCuCl3 with a gapped ground state under magnetic field H parallel to the [2,0,1] direction. With increasing applied pressure P, the gap…
Using a first principles based, magnetic tight-binding total energy model, the magnetization energy and moments are computed for various ordered spin configurations in the high pressure polymorphs of iron (fcc, or $\gamma$-Fe, and hcp, or…
Off-stoichiometric Ni$_2$MnIn Heusler alloys have drawn recent attention due to their large magnetocaloric entropy change associated with the first-order magneto-structural transition. Here we present crystal structural, calorimetric and…
Electrical resistivity as a function of temperature, pressure, and magnetic field was measured in high and low purity single crystals of BaVS$_3$ close to the critical pressure value $p_{cr}$$\approx$2 GPa, associated with the zero…
The effect of pressure on the magnetic and the magnetocaloric properties around the martensitic transformation temperature in NiCoMnSb Heusler alloy has been studied. The martensitic transition temperature has significantly shifted to…
We propose and analyze two convection quasi-robust and pressure robust finite element methods for a fully nonlinear time-dependent magnetohydrodynamics problem. Both methods employ the $H_{\rm div}$ conforming BDM element coupled with an…
Magnetic and magneto-functional behavior of a Fe-doped MnNiGe alloy with nominal composition Mn$_{0.85}$Fe$_{0.15}$NiGe have been investigated in ambient as well as in high pressure condition. The alloy undergoes first order martensitic…
We present Gibbs free-energy phase diagrams for compressed iron within a pressure range of 20 to 300 GPa and electronic temperature up to 3 eV obtained using finite-temperature density functional and density functional perturbation…
Layered transition-metal compounds with controllable magnetic behaviors provide many fascinating opportunities for the fabrication of high-performance magneto-electric and spintronic devices. The tuning of their electronic and magnetic…
We present a coarse molecular-dynamics (CMD) approach for the study of stress-induced structural transformations in crystals at finite temperatures. The method relies on proper choice of a coarse variable (order parameter, observable),…
We present the second-order phase transition from a band insulator to metal that is induced by a strong magnetic field. The magnetic-field dependences of the magnetization and energy band gap of a crystalline silicon immersed in a magnetic…
We report first principles numerical discovery of hydrostatic pressure driven tetragonal to collapsed tetragonal transition in 1111-type material ThMnAsN accompanied by simultaneous magneto-structural, insulator to metal transition together…