Related papers: Tunable dimensional crossover and magnetocrystalli…
The Fe$_5$PB$_2$ compound offers tunable magnetic properties via the possibility of various combinations of substitutions on the Fe and P-sites. Here, we present a combined computational and experimental study of the magnetic properties of…
We have explored, computationally and experimentally, the magnetic properties of \fecob{} alloys. Calculations provide a good agreement with experiment in terms of the saturation magnetization and the magnetocrystalline anisotropy energy…
The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…
The magnetic properties of the compound Fe$_5$Si$_{1-x}$P$_{x}$B$_2$ have been studied, with a focus on the Curie temperature $T_\textrm{C}$, saturation magnetization $M_\textrm{S}$, and magnetocrystalline anisotropy. Field and temperature…
Heusler alloys have attracted interest in various fields of functional materials since their properties can quite easily be tuned by composition. Here, we have investigated the relatively new class of all-3d Heusler alloys in view of its…
The electronic structure and magnetic properties of pure and doped {Fe$_{16}$N$_2$} systems have been studied in the local-density (LDA) and quasiparticle self-consistent {\emph{GW}} approximations. The {\emph{GW}} magnetic moment of pure…
First-principles calculations are used to gauge different levels of approximation to calculate the magnetocrystalline anisotropy energies (MAE) of five $L1_0$ FeMe alloys (Me=Co, Cu, Pd, Pt, Au). We find that a second-order perturbation…
We present a systematic study of the magnetic properties of L1$_0$ binary alloys FeNi, CoNi, MnAl and MnGa via two different density functional theory approaches. Our calculations show large magnetocrystalline anisotropies in the order…
We investigate the structural, magnetocrystalline anisotropy, critical behaviour, and magnetocaloric effect in the layered room-temperature monoclinic ferromagnet Cr$_{1.38}$Te$_2$. The critical behavior is studied by employing various…
The Co$_2$Ge$_2$Te$_6$ shows intrinsic ferromagnetic (FM) order, which origins from superexchange interaction between Co and Te atoms, with higher Curie temperature ($T_c$) of 161 K. Co$_2$Ge$_2$Te$_6$ monolayer (ML) is half-metal (HM), and…
We employ first-principles calculations to explore interstitial engineering as a strategy to tailor the hard magnetic properties of Fe2MnSn Heusler alloy, establishing its potential as a rare-earth-free permanent magnet. By introducing…
The emergence of multiferroic materials, which possess both ferromagnetic (FM) and ferroelectric (FE) properties, drive advancements in magnetoelectric applications and the next generation of spintronics. Based on first-principles…
On the basis of a first-principles, relativistic electronic structure theory of finite temperature metallic magnetism, we investigate the variation of magnetic anisotropy, K, with magnetisation, M, in metallic ferromagnets. We apply the…
We present a comprehensive investigation of structural, magnetic and transport properties of Ni$_2$FeAl Heusler alloy nanoparticles (NPs) synthesized via template-less chemical route. The NPs exhibit high saturation magnetization of 3.02…
We present a thorough study on the magnetoanisotropic properties and magnetocaloric effect in the layered ferromagnetic Cr$_4$Te$_5$ single crystals by performing the critical behaviour analysis of magnetization isotherms. The critical…
It is well known that the temperature dependence of the effective magnetocrystalline anisotropy energy obeys the $l(l+1)/2$ power law of magnetization in the Callen-Callen theory. Therefore, according to the Callen-Callen theory, the…
Magnets with controllable magnetization and high critical temperature are essential for practical spintronics devices, among which the two-dimensional 1T-CrTe2 stands out because of its high experimental critical temperature up to about…
Magnetocrystalline anisotropy in transition metal alloys (FePt, CoPt, FePd, MnAl, MnGa, and FeCo) was studied using first-principles calculations to elucidate its specific mechanism. The tight-binding linear muffin-tin orbital method in the…
In the framework of density functional theory, the structural and magnetic properties of Fe$_{100-x}$Al$_x$ alloys (${5 \leq x \leq 25}$~at.\%) with the different structural order are investigated. Using the Korringa-Kohn-Rostoker Green's…
The two-dimensional (2D) Cu(CrSe$_2$)$_2$ monolayer stands out for its combined ferromagnetic (FM), ferroelectric (FE), and metallic properties, marking itself as a prominent 2D multiferroic metal. This work studies those properties and the…