相关论文: Half-metallic Antiferromagnet BaCrFeAs2

Among the family of intercalated transition-metal dichalcogenides (TMDs), Fe$_{x}$NbS$_2$ is found to possess unique current-induced resistive switching behaviors, tunable antiferromagnetic states, and a commensurate charge order, all of…

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…

One of the unifying concepts in the iron-pnictide superconductors, both for the mechanism of magnetic ordering and of unconventional order parameter character, has been the electron and hole Fermi surfaces that are approximately nested.…

We propose a novel interaction-based route to half-metal state for interacting electrons on two-dimensional lattices. Magnetic field applied parallel to the lattice is used to tune one of the spin densities to a particular commensurate with…

Here we show that the 2.80(8) {\mu}B/Fe block antiferromagnetic order of BaFe2Se3 transforms into stripe antiferromagnetic order in KFe2Se3 with a decrease in moment to 2.1(1) {\mu}B/Fe. This reduction is larger than expected from the…

The ternary intermetallic compound Pr6Ni2Si3, is a member of a structure series of compounds based on a triangular structure where the number of Pr atoms in the prism cross section can be systematically varied. Pr6Ni2Si3 contains two…

Hybrid transition metal oxides continue to attract attention due to their multiple degrees of freedom ($e.g.$, lattice, charge, spin, and orbital) and versatile properties. Here we investigate the magnetic and electronic properties of the…

We review neutron scattering investigations of the crystal structures, magnetic structures, and spin dynamics of the iron-based RFe(As,P)O (R=La, Ce, Pr, Nd), (Ba,Sr,Ca)Fe2As2, and Fe1+x(Te-Se) systems. On cooling from room temperature all…

Superconductivity in the iron pnictides develops near antiferromagnetism, and the antiferromagnetic (AF) phase appears to overlap with the superconducting phase in some materials such as BaFe2-xTxAs2 (where T = Co or Ni). Here we use…

The iron pnictides and the cuprates represent two families of materials, where strong antiferromagnetic correlation drives three other distinct ordering tendencies: (1) superconducting pairing, (2) Fermi surface distortion, and (3) orbital…

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 paper, we investigate the half-metallicity of Heusler alloys Fe2Co1-xCrxSi by first principles calculations and anisotropy magnetoresistance measurements. It is found that, with the increase of Cr content x, the Fermi level of…

Using the first-principles density functional approach, we investigate a material Pr$_2$MgIrO$_6$ (PMIO) of double perovskite structure synthesized recently. According to the calculations, PMIO is a magnetic Mott-Hubbard insulator…

We propose experimental verification and theoretical explanation of magnetic anomalies in the complex Fe-contained double perovskite multiferroics like PbFe$_{1/2}$Nb$_{1/2}$O$_3$. The theoretical part is based on our model of coexistence…

Developing a comprehensive magnetic theory for correlated itinerant magnets poses challenges due to the difficulty in reconciling both local moments and itinerant electrons. In this work, we investigate the microscopic process of magnetic…

We investigate a well defined heterostructure constituted by magnetic Fe layers sandwiched between graphene (Gr) and Ir(111). The challenging task to avoid Fe-C solubility and Fe-Ir intermixing has been achieved with atomic controlled Fe…

Using theoretical arguments, we show that, in order to exploit half-metallic ferromagnets in tunneling magnetoresistance (TMR) junctions, it is crucial to eliminate interface states at the Fermi level within the half-metallic gap; contrary…

We successfully synthesized a novel intermetallic compound $\rm CrFe_2Ge_2$ with the $\rm Fe_{13}Ge_{8}$-type crystal structure. A structural study is presented combining single-crystal X-ray diffraction and M\"{o}ssbauer spectroscopy…

Six half-metallic ferromagnets X0.75Y0.25C (X=Si, Ge, Sn and Y =Ca and Sr) with zinc-blende structure, resulting from alkaline-earth (Ca, Sr) substitution for X, are predicted based on the density functional theory. The calculated total…

Magnetism in solids generally originates from the localized $d$- or $f$-orbitals that are hosted by heavy transition-metal elements. Here, we demonstrate a novel mechanism for designing half-metallic $f$-orbital Dirac fermion from…