相关论文: Alloying effect on the ideal tensile strength of f…
In order to investigate the phase stability of equiatomic FeN compounds and the structure-dependent magnetic properties, the electronic structure and total energy of FeN with NaCl, ZnS and CsCl structures and various magnetic configurations…
We perform density functional calculations to investigate the structure of the inter-metallic alloy FeRh under epitaxial strain. Bulk FeRh exhibits a metamagnetic transition from a low-temperature antiferromagnetic (AFM) phase to a…
The alloys with 8/18/24 valence electron count (VEC) are promising candidates for efficient energy conversion and refrigeration applications at low as well as high temperatures. The full potential linearized augmented plane wave method as…
On the basis of the density functional calculations in combination with the supercell approach, we report on a complete study of the influences of atomic arrangement and Ni substitution for Al on the ground state structural and magnetic…
Low temperature magnetic and thermal (C_m) properties of the ferromagnetic (FM) alloys Ce_2.15 (Pd_1-x Rh_x)_1.95 In_0.9 were investigated in order to explore the possibility for tuning a quantum critical point (QCP) by doping Pd with Rh.…
Superconductivity in BaFe2(As1-xPx)2 iron pnictides emerges when its in-plane two-dimensional (2D) orthorhombic lattice distortion associated with nematic phase at Ts and three-dimensional (3D) collinear antiferromagnetic (AF) order at TN…
Material structures containing tetrahedral FeAs bonds, depending on their density and geometrical distribution, can host several competing quantum ground states ranging from superconductivity to ferromagnetism. Here we examine structures of…
Palladium-iron alloys produced by high-dose implantation of iron ions into epitaxial palladium films were investigated with the ferromagnetic resonance (FMR) and vibrating sample magnetometry (VSM) techniques. The samples reveal distinct…
It was shown that anomalous resistivity behavior of the $Cu-Mn-Al$ ribbons is explained by the s-d interaction between conduction electrons and the clustered Mn atoms. While nuclear magnetic resonance measurements show the antiferromagnetic…
We study critical and magnetic properties of a bilayer Ising system consisting of two triangular planes A and B, with the antiferromagnetic (AF) coupling $J_{\rm A}$ and the ferromagnetic (FM) one $J_{\rm B}$ for the respective layers,…
We have studied the electronic and magnetic properties of Fe-Pt, Co-Pt and Ni-Pt alloy systems in ordered and disordered phases. The influence of various exchange-correlation functionals on values of equilibrium lattice parameters and…
We propose an improved twist-averaging scheme for quantum Monte Carlo methods that use converged Kohn-Sham or Hartree-Fock orbitals as the reference. This twist-averaging technique is tailored to sample the Brillouin zone of magnetic…
Fe-doped III-V ferromagnetic semiconductor (FMS) (In,Fe)Sb is a promising material for spintronic device applications because of the n-type carrier conduction and the ferromagnetism with high Curie temperature (TC > 300 K). To clarify the…
The anisotropy of the Fe-based superconductors is much smaller than that of the cuprates and the theoretical calculations. A credible understanding for this experimental fact is still lacking up to now. Here we experimentally study the…
We report the use of high magnetomechanical coupling ferrites in magnetoelectric (ME) layered composites. Bilayer samples combining $(Ni_{0.973} Co_{0.027})_{1-x} Zn_x Fe_2 O_4$ ferrites ($x = 0-0.5$) synthesized by non conventional…
Half-metallic antiferromagnets are the ideal materials for spintronic applications since their zero magnetization leads to lower stray fields and thus tiny energy losses. Starting from the Mn$_2$VAl and Mn$_2$VSi alloys we substitute Co or…
Strengthening by grain refinement via the Hall-Petch mechanism and softening by nanograin formation via the inverse Hall-Petch mechanism have been the subject of argument for decades, particularly for ultrafine-grained materials. In this…
Through Bayesian optimization and the least absolute shrinkage and selection operator (LASSO) technique combined with first-principles calculations, we investigated the tunnel magnetoresistance (TMR) effect of…
A pressure-induced insulator-to-metal transition (IMT) has recently been discovered in the nodal-line ferrimagnet Mn$_3$Si$_2$Te$_6$. The electronic phase transition is accompanied by anomalies in the magnetic ordering temperature and the…
The magnetic moments per Fe atom in high-$T{_\textrm{c}}$ iron-based superconducting compounds, BaFe$_{2}$As$_{2}$ and LaFeAsO obtained from the first-principles calculation with local-spin-density approximation are much larger than those…