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

The electronic properties of two spinels Fe$_3$O$_4$ and Fe$_2$SiO$_4$ are studied by the density functional theory. The local Coulomb repulsion $U$ and the Hund's exchange $J$ between the $3d$ electrons on iron are included. For $U=0$,…

Realizing ideal Weyl semimetal state with a single pair of Weyl points has been a long-sought goal in the field of topological semimetals. Here, we reveal such a state in the Cr-based half-Heusler compounds XCrTe (X=K, Rb). We show that…

Conduction electrons interacting with a dynamic impurity can give rise to a local Fermi liquid. The latter has the same low energy spectrum as an ideal Fermi gas containing a static impurity. The Fermi liquids's elementary excitations are…

Magnetic and electronic transport properties of Co$_2$MnZ (Z = Al, Ga, Ge, Si, Sn) Heusler alloys were experimentally investigated. Electrical resistivity, in the temperature range from 4.2 to 300 K, as well as field dependences of the Hall…

First principles FPLAPWcalculations were performed in the framework of Density Functional Theory (DFT), to study the electronic structures and magnetic properties for the new full-Heusler compounds: Sc2CoZ (Z=Si, Ge, Sn). The investigated…

The low-energy electronic structure of the itinerant metamagnet Sr3Ru2O7 is investigated by angle resolved photoemission and density functional calculations. We find well-defined quasiparticle bands with resolution limited line widths and…

Ge$_{1-x}$Fe$_{x}$ (Ge:Fe) shows ferromagnetic behavior up to a relatively high temperature of 210 K, and hence is a promising material for spintronic applications compatible with Si technology. We have studied its electronic structure by…

Density functional theory (DFT) calculations confirm that the structurally ordered Fe$_2$VAl Heusler alloy is nonmagnetic narrow-gap semiconductor. This compound is apt to form various disordered modifications with high concentration of…

By means of Shubnikov-de-Haas and de-Haas-van-Alphen oscillations, and ab initio calculations, we have studied the Fermi surface of high-quality BaNiS$_2$ single crystals, with mean free path $l \sim 400 ~\text{\AA}$. The angle and…

Using electronic structure calculations based on density functional theory, we predict and study the structural, mechanical, electronic, magnetic and transport properties of a new full Heusler chalcogenide, namely, Fe$_2$CrTe, both in bulk…

In this study we present a detailed ab initio analysis of the magnetic properties of VSe2 . Ab initio calculations in the so-called 1T structure yield a ferromagnetic phase as most stable, with a magnetic moment of about 0.6 {\mu} B /V.…

Low temperature scanning tunneling spectroscopy of HfNiSn shows a V^m(m < 1) zero bias anomaly around the Fermi level. This local density of states with a fractional power law shape is well known to be a consequence of electronic…

Electronic structure calculations are used to analyze the electronic and magnetic properties in {K$_{2}$Fe$_{4+x}$Se$_{5}$}. Fe atoms can be divided into two distinct groups. The $x{=}0$ (parent) compound forms an insulating, collinear,…

In this paper, we use the first-principles calculations based on the density functional theory to investigate structural, electronic and magnetic properties of Fe$_{2}$YSn with (Y = Mn, Ti and V). The generalized gradient approximation…

Results are reported for single crystal specimens of Hf$_2$Te$_2$P and compared to its structural analogue Zr$_2$Te$_2$P, which was recently proposed to be a potential reservoir for Dirac physics.[1] Both materials are produced using the…

The intermetallic compound Fe2VAl looks non-metallic in transport and strongly metallic in thermodynamic and photoemission data. It has in its band structure a highly differentiated set of valence and conduction bands leading to a…

We present a systematic first-principles investigation of linear-response spin-dependent quantum transport in the van der Waals ferromagnets Fe$_3$GeTe$_2$, Fe$_4$GeTe$_2$, Fe$_5$GeTe$_2$, and Fe$_3$GaTe$_2$. Using density functional theory…

We present a study of angle-resolved quantum oscillations of electric and thermoelectric transport coefficients in semi-metallic WTe$_{2}$, which has the particularity of displaying a large B$^{2}$ magneto-resistance. The Fermi surface…

In this work, we report the study of electronic structure, magnetism, and the existence of Weyl nodes in a pristine bulk FeNi$_{3}$, a member of Fe-Ni inver alloy compounds, known as good metal catalysts with high activity and stability for…

The magnetic properties and electronic structure of (K,Tl)y Fe1.6 Se2 is studied using first-principles calculations. The ground state is checkerboard antiferromagnetically coupled blocks of the minimal Fe4 squares, with a large block spin…