相关论文: Electronic Structure and Origin of Ferromagnetism …
Samarium hexaboride (SmB$_6$), a representative Kondo insulator, has been characterized recently as a likely topological insulator. It is also a material with strong electron correlations, evident by the temperature dependence of its…
Weak ferromagnetism in Fe1-xCoxSb2 is studied by magnetization and Mossbauer measurements. A small spontaneous magnetic moment of the order of 10^-3 uB appears along the b-axis for 0.2<= x <= 0.4. Based on the structural analysis, we argue…
From density functional DFT investigations helped with crystal chemistry rationale, diiron (pairs of Fe), mostly known in molecular diiron nona-carbonyl Fe2(CO)9 and diiron-mono-carbide Fe2C carbide, are embedded in hexagonal C6…
The electronic structure of FeSe, the simplest iron based superconductor (Fe-SC), conceals a potential of dramatic increase of Tc that realizes under pressure or in a single layer film. This is also the system where nematicity, the…
New results about the electromagnetic form factors of the nucleon are obtained with a semirelativistic version of the hypercentral constituent quark model (hCQM) and a relativistic current. The complex structure of the constituent quarks is…
A number of rare-earth monopnictides have topologically non-trivial band structures together with magnetism and strong electronic correlations. In order to examine whether the antiferromagnetic (AFM) semimetal YbAs ($T\rm_N$ = 0.5 K)…
We used fully correlated ab initio calculations to determine the effective parameters of Hubbard and t - J models for the thermoelectric misfit compound $\rm Ca_3Co_4O_9$. As for the $\rm Na_xCoO_2$ family the Fermi level orbitals are the…
Half-metallic ferromagnets show 100% spin-polarization at the Fermi level and are ideal candidates for spintronic applications. Despite the extensive research in the field, very few materials have been discovered so far. Here we present…
The discovery of topologically non-trivial states in band insulators has induced an extensive search for topological phase in strongly correlated electron systems. In particular, samarium hexaboride (SmB$_6$) has drawn much attention as it…
Low-dimensional magnetic materials have attracted much attention due to their novel properties and high potential for spintronic applications. In this work, we study the electronic structure and magnetic properties of the pseudo…
We investigate the electronic structure of Sr$_2$FeMoO$_6$ combining photoemission spectroscopy with a wide range of photon energies and electronic structure calculations based on first-principle as well as model Hamiltonian approaches to…
The symmetry and structure of the superconducting gap in the Fe-based superconductors are the central issue for understanding these novel materials. So far the experimental data and theoretical models have been highly controversial. Some…
A new iron-oxychalcogenide (CaO)(FeSe) was obtained which crystallizes in the orthorhombic space group Pnma (No. 62) with a = 5.9180(12) {\AA}, b = 3.8802(8) {\AA}, c = 13.193(3) {\AA}. The unique structure of (CaO)(FeSe) is built up of a…
The superconductor UCoGe is analyzed with electronic structure calculations using Linearized Augmented Plane Wave method based on Density Functional Theory. Ferromagnetic and antiferromagnetic calculations with and without correlations (via…
Half-Heusler compounds with 18 valence electrons are semi-conducting. It will be shown that doping with electrons results in half-metallic ferromagnets, similar to the case of diluted semi-conductors. CoTiSb is known to be a semi-conducting…
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…
We consider a typical heterostructure domain patterned ferroelectric film/ultra thin dielectric layer/ semiconductor, where the semiconductor can be an electrolyte, paraelectric or multi layered graphene. Unexpectedly we have found that the…
Local spin density approximation calculations are used to elucidate electronic and magnetic properties of Heusler structure Fe_2VAl. The compound is found to be a low carrier density semimetal. The Fermi surface has small hole pockets…
Anomalous magnetic and electronic properties of the half-metallic ferromagnets (HMF) have been discussed. The general conception of the HMF electronic structure which take into account the most important correlation effects from…
A member of the RMn$_6$Sn$_6$ rare-earth family materials, TbMn$_6$Sn$_6$, recently showed experimental signatures of the realization of a quantum-limit Chern magnet. In this work, we use quantum Monte Carlo (QMC) and density functional…