相关论文: The half-metallic ferromagnet Co2Mn0.5Fe0.5Si
For understanding the stability of Co-free positive electrode material, LiNi0.5Mn0.5O2 was synthesized with different addition amount of lithium during calcination. The valence states of transition metal in the prepared samples were…
First-principle calculations were performed within the framework of the density functional theory (DFT) using FP-LAPW method as implemented in WIEN2k code to determine the structural stability, electronic and magnetic properties of…
We employ {\it ab-initio} fully-relativistic electronic structure calculations to study the stability of the Weyl points in the momentum space within the class of the half-metallic ferromagnetic full Heusler materials, by focusing on…
We investigated the electronic structure of the antiferromagnetic Kondo lattice CePd5Al2 using high-resolution angle-resolved photoemission spectroscopy. The experimentally determined band structure of the conduction electrons is…
The need for spin-injectors having the same zincblende-type crystal structure as conventional semiconductor substrates has created significant interests in theoretical predictions of possible metastable ``half-metallic'' zincblende…
We predict the magnetic and electronic properties of a novel metal-organic framework. By combining density functional theory and density matrix renormalization group approaches, we find the diatomic Kagome crystal structure of the…
A brief review of experimental and theoretical studies of half-metallic ferromagnets (HMF) and spin gapless semiconductors (SGS) is given. The data on resistivity and magnetoresistivity are presented. An important role of non-quasiparticle…
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…
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…
Using density-functional theory within the generalized gradient approximation, we show that Si-based heterostructures with 1/4 layer $\delta$-doping of {\em interstitial} Mn (Mn$_{\mathrm int}$) are half-metallic. For Mn$_{\mathrm int}$…
The quasistatic approximation and equation-of-motion decoupling for the electron Green's functions are applied to trace the effect of electronic dispersion and electron correlations on the ferromagnetism of two-dimensional…
In our recent study, Phys. Rev. Lett. 108 086402 (2012), we have revealed the intriguing properties of the ferromagnetic state in the Kondo lattice model with antiferromagnetic coupling in infinite dimensions: within the ferromagnetic…
Ferromagnetism was recently observed at unexpectedly high temperatures in La-doped CaB_6. The starting point of all theoretical proposals to explain this observation is a semimetallic electronic structure calculated for CaB_6 within the…
Electronic structure calculations using quantum Monte Carlo (QMC) methods conclusively show that pure CaB$_6$ is a narrow-gap semiconductor with an $X$-point gap $\sim 1.3$ eV. This should put to rest controversies as to whether the…
Due to increased interest in the unusual magnetic and transport behavior of MnSi and its possible relation to its crystal structure (B20) which has unusual coordination and lacks inversion symmetry, we provide a detailed analysis of the…
Electronic structures of superconducting Re24Nb5 and Re24Ti5 have been calculated employing the full-potential local-orbital method within the density functional theory. The investigations were focused on the influence of the antisymmetric…
We introduce a quantum spin Hall semimetal or Fermi liquid characterized with a Z2 topological invariant, measurable through circularly polarized light. We propose its engineering through two topological metallic band structures in crystals…
A new diluted ferromagnetic semiconductor (Sr,Na)(Zn,Mn)2As2 is reported, in which charge and spin doping are decoupled via Sr/Na and Zn/Mn substitutions, respectively, being distinguished from classic (Ga,Mn)As where charge & spin doping…
The interplay between electronic correlations and topological protection may offer a rich avenue for discovering emergent quantum phenomena in condensed matter. However, electronic correlations have so far been little investigated in Weyl…
Determination of the magnetic structure and confirmation of the presence or absence of inversion ($\mathcal{P}$) and time reversal ($\mathcal{T}$) symmetry is imperative for correctly understanding the topological magnetic materials. Here…