相关论文: Electronic correlation effects in the Cr2GeC Mn+1A…
Magnetic orders characterized by multiple ordering vectors harbor noncollinear and noncoplanar spin textures and can be a source of unusual electronic properties through the spin Berry phase mechanism. We theoretically show that such…
We discuss physical properties of strongly correlated electron states for a linear chain obtained with the help of the recently proposed new method combining the exact diagonalization in the Fock space with an ab initio readjustment of the…
We report on results of the first realistic electronic structure calculations of the Pu-based PuCoGa5 superconductor based on the dynamical mean field theory. We find that dynamical correlations due to the local Coulomb interaction between…
The ordered tetragonal intermetallic Cr$_2$Al forms the same structure type as Mn$_2$Au, and the latter has been heavily investigated for its potential in antiferromagnetic spintronics due to its degenerate in-plane N\'{e}el vector. We…
To explore material dependence of layered cuprate superconductors, we examine effective two-particle interactions for Hg1201 and Tl1201, where Tl1201 having a nearly half value of Tc of Hg1201 even at the optimal oxygen concentration.…
We report the electronic structure of monoclinic CuO as obtained from first principles calculations utilizing density functional theory plus effective Coulomb interaction (DFT + U) method. In contrast to standard DFT calculations taking…
The fascinating electronic properties of the family of layered organic molecular crystals kappa-(BEDT-TTF)2X where X is an anion (e.g., X=I3, Cu[N(CN)2]Br, Cu(SCN)2) are reviewed. These materials are particularly interesting because of…
The structural and magnetic properties of spinel compounds $CoB_2O_4$ (B=Cr,Mn and Fe) are studied using the DFT+U method and generalized gradient approximation (GGA). We concentrate on understanding the trends in the properties of these…
The structural and electronic properties of hypothetical Ru$_x$Fe$_{1-x}$Se and Ru$_x$Fe$_{1-x}$Te systems have been investigated from first principles within the density functional theory (DFT). Reasonable values of lattice parameters and…
A-type antiferromagnetism, with an in-plane ferromagnetic order and the interlayer antiferromagnetic coupling, owns inborn advantages for electrical manipulations but is naturally rare in real materials except in those artificial…
We have examined theoretically the electronic band structure and Fermi surface of tetragonal low-temperature superconductor Bi2Pd. Our main results are that (i) the Pd 4d and Bi 6p states determine the main peculiarities of the…
Eu(Ga$_{1-x}$Al$_x$)$_4$ are centrosymmetric systems that have recently been identified as candidates to stabilise topologically non-trivial magnetic phases, such as skyrmion lattices. In this Letter, we present a high-resolution resonant…
Resonant elastic X-ray scattering (REXS) at the Eu $M_5$ edge reveals an antiferromagnetic structure in layered EuCd$_2$Sb$_2$ at temperatures below $T_\textrm{N}$ = 7.4 K with a magnetic propagation vector of $(0,0,1/2)$ and spins in the…
The field of topological electronic materials has seen rapid growth in recent years, in particular with the increasing number of weakly interacting systems predicted and observed to host topologically non-trivial bands. Given the broad…
The $1D$ phase diagram of a model for correlated hopping of electrons in a lattice of Berry phase molecules is presented. Electrons hop in presence of an extra orbital degree of freedom at each site. This is mimicked as a spin-1 variable…
By systematic first-principles calculations, we study the electronic structure and magnetic property of SrCrO$_3$. Our results suggest that SrCrO$_3$ is a weakly correlated antiferromagnetic (AF) metal, a very rare situation in…
It is experimentally well established that the Cr(001)-surface exhibits a sharp resonance around the Fermi level. However, there is no consensus about its physical origin. It is proposed to be either due to a single particle dz2 surface…
We report the synthesis and properties of a new layered material, CrGe1-xSe3+y. The crystal structure was determined by using single crystal x-ray diffraction and transmission electron microscopy. CrGe1-xSe3+y crystallizes with a space…
Magnetic topological semimetals provide a fertile ground for exploring how long-range magnetic order can alter electronic band structures and generate novel quasiparticles such as Weyl fermions. Here, we investigate the coupled magnetic and…
Using a two-dimensional Hubbard Hamiltonian for the three electronic bands crossing the Fermi level in Sr$_2$RuO$_4$ we calculate the band structure and spin susceptibility $\chi({\bf q}, \omega)$ in quantitative agreement with nuclear…