相关论文: Half-metallic ferromagnetism and Ru-induced locali…

We present a study of the electronic structure and magnetism of Co$_2$MnAl, CoMnVAl and their heterostructure. We employ a combination of density-functional theory and dynamical mean-field theory (DFT+DMFT). We find that Co$_2$MnAl is a…

For a material that is a half-metal, there should exist a range of compositions for half-metallicity. This compositional range can be expressed in terms of electron count and computed. We investigate electronic and magnetic properties of…

In this paper, we report the theoretical investigation and experimental realization of a new spin-gapless semiconductor (SGSs) compound CoFeMnSn belonging to the family of quaternary Heusler alloys. Through the use of several ground-state…

The phase stabilities and ordering tendencies in the quaternary full-Heusler alloys NiCoMnAl and NiCoMnGa have been investigated by in-situ neutron diffraction, calorimetry and magnetization measurements. NiCoMnGa was found to adopt the…

A giant diamagnetism in the Co$_{2}$CrAl compounds, in both bulk and thin film, below a certain temperature ($T_z$) was observed. Above $T_z$, the compound behaves as an ordinary ferromagnet. The diamagnetic alignment might be initiated by…

We study the electronic and magnetic properties of the quaternary AuMnSn$_{1-x}$Sb$_{x}$ Heusler alloys using first principles calculations. We determine their magnetic phase diagram and we show that they present a phase transition from a…

Combining density-functional theory calculations with many-body Green's-function technique, we reveal that the macroscopic magnetization in half-metallic antiferromagnets does not vanish at finite temperature as for the T=0 limit. This…

Topological semimetals (TSMs) including Weyl semimetals and nodal-line semimetals are expected to open the next frontier of condensed matter and materials science. Although the first inversion breaking Weyl semimetal was recently discovered…

The first-principles full-potential linearized augmented plane-wave method based on density functional theory is used to investigate electronic structure and magnetic properties of hypothetical binary compounds of I$^{A}$ subgroup elements…

All-d-metal full-Heusler alloys possess superior mechanical properties and high spin polarization, which would play an important role in spintronic applications. Despite this, their electrical and thermal transport properties have not been…

The half-Heusler alloy RuMnGa having valence electron count (VEC) 18 has recently been theoretically proposed to exhibit compensated ferrimagnetic (CFiM) character instead of the expected nonmagnetic ground state. On the other hand, a…

We report the structural, magnetic and transport properties of polycrystalline CrVTiAl alloy along with first principles calculations. It crystallizes in the LiMgPdSn type structure with lattice parameter 6.14 \AA\ at room temperature.…

This study provides a first-principles insight into half-Heusler CrMnSb to understand its deviation from the conventional Slater-Pauling semiconducting behavior. CrMnSb, having a valence electron count of 18, has been proposed to exhibit…

Half-metallic ferromagnetism (FM) in single-crystal Ba{0.39(1)}Rb{0.61(1)}Mn2As2 below its Curie temperature TC = 103(2) K is reported. The magnetization M versus applied magnetic field H isotherm data at 1.8 K show complete polarization of…

Narrow-gap higher mobility semiconducting alloys In_{1-x}Mn_{x}Sb were synthesized in polycrystalline form and their magnetic and transport properties have been investigated. Ferromagnetic response in In_{0.98}Mn_{0.02}Sb was detected by…

We employ ab-initio electronic structure calculations and study the magnetic properties of CaN and SrN compounds crystallizing in the rocksalt structure. These alkaline-earth metal mononitrides are found to be half-metallic with a total…

Heusler alloys were discovered in 1903, and materials with half-metallic characteristics have drawn more attention from researchers since the advances in semiconductor industry. Heusler alloys have found application as spin-filters, tunnel…

Half-metals, featuring ideal 100\% spin polarization, are widely regarded as key materials for spintronic and quantum technologies; however, the half-metallic state is intrinsically fragile, as it relies on a delicate balance of exchange…

Lattice parameter, bulk modulus, formation energy and magnetism equilibrium structure in all-d transition metals $Ni_2XMn$ (X=Co,Cr,Fe) for Full and Inverse Heusler structure are studied by first-principles calculations. Tetragonal…

We investigate half-metallicity in [001] stacked (CrAs)$_n$/(GaAs)$_n$ heterostructures with $n \leq 3$ by means of a combined many-body and electronic structure calculation. Interface states in the presence of strong electronic…