Related papers: {Spin polarization tuning in Mn$_{x}$Fe$_{1-x}$Ge$…
Fe3Si is a ferromagnetic material with possible applications in magnetic tunnel junctions. When doped with Mn, the material shows a complex magnetic behavior, as suggested by older experiments. We employed the Korringa-Kohn-Rostoker (KKR)…
We report on the tuning of electrical, magnetic, and topological properties of the magnetic Weyl semimetal (Mn$_{3+x}$Ge) by Fe doping at the Mn site, Mn$_{(3+x)-\delta}$Fe$_{\delta}$Ge ($\delta$=0, 0.30, and 0.62). Fe doping significantly…
In the active search for potentially promising candidates for spintronic applications, we focus on the intermetallic ferromagnetic Mn5Ge3 compound and perform accurate first-principles FLAPW calculations within density functional theory.…
Magnetic topological materials, in which strong correlations between magnetic and electronic properties of matter, give rise to various exotic phenomena such as anomalous Hall effect (AHE), topological Hall effect (THE), and skyrmion…
Alloying effects by T=Mn,Co,Ni-substitution on FeS$_2$ have been investigated using density-functional calculations. The ferromagnetic alloys Fe$_{1-x}$T$_x$S$_2$ have been investigated for concentrations…
Fe$_{3}$Ga$_{4}$ displays a complex magnetic phase diagram that is sensitive and tunable with both electronic and crystallographic structure changes. In order to explore this tunability, vanadium-doped (Fe$_{1-x}$V$_{x}$)$_{3}$Ga$_{4}$ has…
The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate the electronic structure of the half-metallic compound…
This work presents results for the magnetic properties of the compound GeTe doped with 3d transition metals V, Cr and Mn from the viewpoint of potential application in spintronics. We report a systematic density-functional study of the…
Iron-substitution in hexagonal YMnO3 causes isostructural intra-lattice changes exceeding those of the lattice cell, contrary to the effects of non-magnetic B-site dopants. Magnetization M(T) evidence antiferromagnetic (AFM) ordering of the…
The layered material Mn$_3$Si$_2$Te$_6$, with alternating stacking honeycomb and triangular layers, is attracting considerable attention due to its rich physical properties. Here, using density functional theory and classical Monte Carlo…
Electronic structure calculations are used to analyze the electronic and magnetic properties in {K$_{2}$Fe$_{4+x}$Se$_{5}$}. Fe atoms can be divided into two distinct groups. The $x{=}0$ (parent) compound forms an insulating, collinear,…
The realization of multiferroicity in 2D nanomaterials is crucially important for designing advanced nanoelectronic devices such as non-volatile multistate data storage. In this work, the coexistence of ferromagnetism and ferroelectricity…
FeGa$_3$ is an unusual intermetallic semiconductor that presents intriguing magnetic responses to the tuning of its electronic properties. When doped with Ge, the system evolves from diamagnetic to paramagnetic to ferromagnetic ground…
CoCr$_2$O$_4$ has attracted significant attention recently due to several interesting properties such as magnetostriction, magnetoelectricity etc.. More recent experiments on Fe substituted CoCr$_2$O$_4$ observed a variety of novel…
Germanium-based alloys hold great promise for future spintronics applications, due to their potential for integration with conventional Si-based electronics. Mn5Ge3 exhibits strong ferromagnetism up to the Curie temperature Tc~295K. We use…
The electronic structural properties in the presence of constrained magnetization and a charged background are studied for a monolayer of FeSe in non-magnetic, checkerboard-, and striped-antiferromagnetic (AFM) spin configurations. First…
The structural and magnetic properties of polycrystalline YMn1-xMxO3 (M = Ti, Fe, Ga; x = 0, 0.1) have been studied by neutron powder diffraction and magnetic measurements to probe the effect of Mn site doping on the frustration behavior…
The significance of the spin-orbit interaction is very well known in compounds containing heavier elements such as the rare-earth Eu ion. Here, through density functional calculations, we investigated the effect of the spin-orbit…
The discovery of a significantly large anomalous Hall effect in the chiral antiferromagnetic system - Mn$_3$Ge - indicates that the Weyl points are widely separated in phase space and positioned near the Fermi surface. In order to examine…
The hexagonal multiferroic oxide YMnO$_3$ has demonstrated applications in various fields and is widely researched due to its interesting properties. Since Mn(3d)--O(2p) interactions predominate close to the Fermi level, doping in the…