相关论文: Site preference of transition-metal elements in L1…

We theoretically investigate the temperature-dependent static susceptibility and long-range magnetic coupling of three-dimensional (3D) chiral gapless electron-hole systems (semimetals) with arbitrary band dispersion [i.e., $\varepsilon(k)…

Polycrystalline samples of Lu{1-x}Sc{x}MnSi (x= 0, 0.25, 0.50) are studied using powder x-ray diffraction (XRD), heat capacity Cp, magnetization M, magnetic susceptibility chi, and electrical resistivity rho measurements versus temperature…

The coupling between band structure and magnetism can lead to intricate Fermi surface modifications. Here we report on the comprehensive study of the Shubnikov-de Haas (SdH) effect in two rare-earth-based magnetic Weyl semimetals, NdAlSi…

Nucleation and growth of Ti$_3$Al \textalpha{}$_2$ ordered domains in \textalpha{}-Ti--Al--X alloys were characterised using a combination of transmission electron microscopy, atom probe tomography and small angle X-ray scattering. Model…

We study transitions between ground and low-energy excited states of heavy ions corresponding to s-d single-electron transitions or s^2-d^2 double-electron transitions. The large nuclear charge Z and significant change in angular momentum…

The CeTIn5 superconductors (T=Co, Rh, or Ir) have generated great interest due to their relatively Tc's, NFL behavior, and their proximity to AF order and quantum critical points. In contrast to small changes with the T-species, electron…

We study the nature of spin excitations of individual transition metal atoms (Ti, V, Cr, Mn, Fe, Co and Ni) deposited on a Cu$_2$N/Cu(100) surface using both spin-polarized density functional theory (DFT) and exact diagonalization of an…

We study a newly predicted layered-ternary compound Ti4SiN3 in its {\alpha}- and {\beta}-phases. We calculate their mechanical, electronic and optical properties and then compare these with those of other compounds M4AX3 (M = V, Ti, Ta; A =…

Two-dimensional superconductors with time-reversal symmetry have a Z_2 topological invariant, that distinguishes phases with and without helical Majorana edge states. We study the topological phase transition in a class-DIII network model,…

Alloys with a first-order magnetic transition are central to solid-state refrigeration technology, sensors and actuators, or spintronic devices. The discontinuous nature of the transition in these materials is a consequence of the coupling…

We investigated the electronic structures of the perovskite-type 4$d$ transition metal oxides Sr$M$O$_3$ ($M$ = Zr, Mo, Ru, and Rh) using their optical conductivity spectra $\sigma (\omega)$. The interband transitions in $\sigma (\omega)$…

In order to clarify the influence of ferromagnetism on superconductivity through a normal metal layer, the superconducting properties of epitaxial Nb(110)/Au(111)/Fe(110) trilayers were studied as a function of the thickness tAu of the…

The electronic structure of Me[N(CN)$_2$]$_2$ (Me=Mn, Fe, Co, Ni, Cu) molecular magnets has been investigated using x-ray emission spectroscopy (XES) and x-ray photoelectron spectroscopy (XPS) as well as theoretical density-functional-based…

Three new phases of ternary transitional metal carbides, namely MAX phases, Nb4SiC3, Nb4GeC3 and Nb4GaC3 were proposed by means of density functional theory, and they were all predicted to be mechanically stable. It was figured out that the…

Mg$_3$Sb$_2$ is a promising thermoelectric material that consists of nontoxic and earth-abundant elements. We investigate metallic-atom diffusion in Mg$_3$Sb$_2$ by calculating the defect formation energy and the diffusion energy barrier…

In this work, results of {\it ab-initio} band structure calculations for $A_2BC$ Heusler compounds that have $A$ and $B$ sites occupied by transition metals and $C$ by a main group element are presented. This class of materials includes…

We prepared polycrystalline samples of NaCo2-xMxO4 substituted for the Co site by other 3d or 4d elements (M=Mn,Cu, Zn, Ru, Rh, and Pd). While some of the elements (M=Mn,Ru and Rh) act as a strong scatterer to give rise to a rapid increase…

Layered materials that exhibit magnetic ordering in their pristine form are very rare. Several standard approaches, such as adsorption of atoms, introduction of point defects, and edge engineering, have been developed to induce magnetism in…

Giant magnetocaloric (GMC) materials constitute a requirement for near room temperature magnetic refrigeration. (Fe,Mn)$_2$(P,Si) is a GMC compound with strong magnetoelastic coupling. The main hindrance towards application of this material…

The present work explores the suitability of Al-Cu-Si ternary alloys as hightemperature metallic phase change materials (PCMs) for thermal energy storage systems (TESS) operating between 550__C and 850__C. While prior research has primarily…