Related papers: Predicting the Curie temperature in substitutional…

The structural and magnetic properties of functional Ni-Mn-Z (Z = Ga, In, Sn) Heusler alloys are studied by first-principles and Monte Carlo methods. The \textit{ab initio} calculations give a basic understanding of the underlying physics…

Accurately predicting the Curie temperature ($T_c$) of ferroelectrics from first principles remains a major challenge, as theoretical estimates often fall significantly below experimental values. In this work, we investigate the origin of…

A new class of rare-earth-free permanent magnets is proposed. The parent compound of this class is Co$_3$Mn$_2$Ge, and its discovery is the result of first principles theory combined with experimental synthesis and characterisation. The…

Recent experiments on Mn doped multiferroic $CoCr_{2}O_{4}$ indicate that a possible distribution of Mn atoms among tetrahedrally and octahedrally coordinated sites in the spinel lattice give rise to different variations in the structural…

Heusler alloys are widely studied due to their interesting structural and magnetic properties, like magnetic memory shape ability, coupled magneto-structural phase transitions and half-metallicity; ruled, for many cases, by the valence…

The crystal structure and magnetic properties of MnCoxFe1-xSi (x=0-0.5) compounds were investigated. With increasing Fe content, the unit cell changes anisotropically and the magnetic property evolves gradually: Curie temperature decreases…

Gd6FeBi2 is reported as the only one room-temperature magnet with a Curie temperature (Tc) of ca. 350 K among more than hundreds of compounds with its structural type, which makes it more attractive in potential applications. To reveal the…

We demonstrate how exchange hardening can arise in a chemically-disordered solid solution from a first-principles statistical mechanics approach. A general mixed-basis chemical and magnetic cluster expansion has been developed, and applied…

We performed first-principles calculations at finite temperatures to investigate the temperature dependence of the magnetic properties, such as exchange stiffness constants and Curie temperatures, of Co2MnZ (Z= Si, Al) assuming L21 and B2…

Specific heat studies of the Sr$_{1-x}$Ba$_x$Mn$_{1-y}$Ti$_y$O$_3$ polycrystalline samples performed by the relaxation and DSC methods over the temperature range 2 - 450 K are reported. Anomalies accompanying the…

Electrical, magnetic and galvanomagnetic properties of half-metallic Heusler alloys of Co$_2$YZ (Y = Ti, V, Cr, Mn, Fe, Ni, and Z = Al, Si, Ga, Ge, In, Sn, Sb) were studied in the temperature range 4.2--900 K and in magnetic fields of up to…

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…

We study the magnetocaloric effect and critical behavior of Co$_2$Cr$_{1-x}$Mn$_x$Al ($x=$ 0.25, 0.5, 0.75) Heusler alloys across the ferromagnetic (FM) transition (T$_{\rm C}$). The Rietveld refinement of x-ray diffraction patterns exhibit…

Machine Learning (ML) has impacted numerous areas of materials science, most prominently improving molecular simulations, where force fields were trained on previously relaxed structures. One natural next step is to predict material…

Element specific ultrafast demagnetization was studied in Fe$_{1-x}$Ni$_{x}$ alloys, covering the concentration range between $0.1<x<0.9$. For all compositions, we observe a delay in the onset of Ni demagnetization relative to the Fe…

We report a systematic study of current-induced perpendicular magnetization switching in W/Co$_{x}$Tb$_{1-x}$/Al thin films with strong perpendicular magnetic anisotropy. Various Co$_{x}$Tb$_{1-x}$ ferrimagnetic alloys with different…

Heusler alloys are promising for several applications, including magnetic refrigeration, due to high magnetocaloric and magnetovolume effects. One way to optimize this potential is by increasing the magnetovolume effect. Using density…

Taking into account the phase fraction during transition for the first-order magnetocaloric materials, an improved isothermal entropy change determination has been put forward based on the Clausius-Clapeyron (CC) equation. It was found that…

This work investigates the magnetocaloric effect (MCE) in LaFe_{11.6}Si_{1.4} and LaFe_{11.78}Mn_{0.41}Si_{1.32}H_{1.6} alloys under adiabatic {\Delta}T and isothermal {\Delta}Q conditions in a magnetic field of {\mu}_{0}H = 1.8 T. The…

We show how temperature-induced disorder can be combined in a direct way with first-principles scattering theory to study diffusive transport in real materials. Excellent (good) agreement with experiment is found for the resistivity of Cu,…