相关论文: Electronic Structure, Local Moments and Transport …

We investigate the electronic structure of CaFe$_2$As$_2$ using high resolution photoemission spectroscopy. Experimental results exhibit three energy bands crossing the Fermi level making hole pockets around the $\Gamma$-point. Temperature…

Using density functional plus dynamical mean-field theory method (DFT+DMFT) with full self-consistency over the charge density, we study the effect of electronic correlations on the electronic structure, magnetic properties,…

Spin-Hall effect in ballistic 2D electron gas with Rashba-type spin-orbit coupling and smooth edge confinement is studied. We predict that the interplay of semiclassical electron motion and quantum dynamics of spins leads to several…

High-quality KFe2As2 single crystals have been studied by transport, magnetization and low-T specific heat measurements. Their analysis shows that superconductivity occurs (in some cases coexists) in the vicinity of disordered magnetic…

Type II Weyl semimetal, a three dimensional gapless topological phase, has drawn enormous interest recently. These topological semimetals enjoy overtilted dispersion and Weyl nodes that separate the particle and hole pocket. Using…

The electronic energy structures and magnetic properties of layered superconductors $R$Ni$_2$B$_2$C, $R$Fe$_4$Al$_8$ and FeSe are systematically studied, by using the density functional theory (DFT). The calculations allowed us to reveal a…

We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFe$_{2}$O$_{4}$, Fe$_{3}$O$_{4}$, CoFe$_{2}$O$_{4}$, and…

Parameters of the energy gap and, consequently, electronic, magnetic and galvanomagnetic properties in different X$_2$YZ Heusler alloys can vary quite strongly. In particular, half-metallic ferromagnets (HMFs) and spin gapless…

The electronic structure of the enigmatic iron-based superconductor FeSe has puzzled researchers since spectroscopic probes failed to observe the expected electron pocket at the $Y$ point in the 1-Fe Brillouin zone. It has been speculated…

Electron-hole mixing-induced fine structure in alkaline earth hexaborides leads to lower energy (temperature) scales, and thus stronger tendency toward an excitonic instability, than in their doped counterparts (viz. Ca(1-x)La(x)B(6),…

In a type I Dirac or Weyl semimetal, the low energy states are squeezed to a single point in momentum space when the chemical potential Ef is tuned precisely to the Dirac/Weyl point. Recently, a type II Weyl semimetal was predicted to…

During the last decade, ab initio methods to calculate electronic structure of materials based on hybrid functionals are increasingly becoming widely popular. In this Letter, we show that, in the case of small gap transition metal oxides,…

Quasicrystals are assumed to be electronically stabilized by a Hume-Rothery type mechanism. This explains most of the peculiar properties of quasicrystals. The stabilization is investigated by electronic transport properties, as they depend…

Quantum oscillation measurements in the new unconventional superconductor YFe$_2$Ge$_2$ resolve all four Fermi surface pockets expected from band structure calculations, which predict an electron pocket in the Brillouin zone corner and…

We investigate the effect of Mn substitution in Fe$_2$Ti$_{1-x}$Mn$_x$Sn on electronic structure and magnetic and electrical transport properties. The spin-polarized density of states calculations using density-functional theory (DFT)…

FeGe_2, and lightly doped compounds based on it, have a Fermi surface driven instability which drive them into an incommensurate spin density wave state. Studies of the temperature and magnetic field dependence of the resistivity have been…

We study the electronic and magnetic properties of monolayer Fe$_3$GeTe$_2$ within the DFT+DMFT approach in the paramagnetic phase. We argue that this compound is sufficiently far from the local magnetic moment limit, demonstrating…

We discuss the ground state and the small-amplitude excitations of a degenerate vapour of fermionic atoms placed in two hyperfine states inside a spherical harmonic trap. An equations-of-motion approach is set up to discuss the hydrodynamic…

Two-dimensional (2D) ferroelectric (FE) materials are promising compounds for next-generation nonvolatile memories, due to their low energy consumption and high endurance. Among them, {\alpha}-In$_{2}$Se$_{3}$ has drawn particular attention…

Heusler type compounds have long been recognized as potential thermoelectric (TE) materials. Here, the experimentally observed TE properties of Fe$_{2}$VAl are understood through electronic structure calculations in the temperature range of…