Related papers: Electronic and Magnetic Properties of Febr2
The 3$d$-5$d$ based double perovskites offer an ideal playground to study the interplay between electron correlation ($U$) and spin-orbit coupling (SOC) effect, showing exotic physics. The Sr$_2$FeIrO$_6$ is an interesting member in this…
We have attributed magnetism and electronic structure of V2O3 to the V3+ ions. We claim that the V3+ ion in V2O3 should be considered as described by the quantum numbers S=1 and L=3. Such quantum numbers result from two Hund's rules. The…
We report electron spin resonance (ESR) spectroscopy results on the double perovskite Ba$_2$YIrO$_6$. On general grounds, this material is expected to be nonmagnetic due to the strong coupling of the spin and orbital momenta of Ir$^{5+}$…
The discovery of FeO$_{2}$ containing more oxygen than hematite (Fe$_{2}$O$_{3}$) that was previously believed to be the most oxygen rich iron compounds, has important implications on the study of the deep lower mantle compositions.…
In divalent Eu systems, the 4f local moment has a pure spin state J=S=7/2. Although the absence of orbital moment precludes crystal electric field effects, we report a sizeable magnetic anisotropy in single crystals of EuRh2Si2. We observed…
We use the state-of-the-arts density-functional-theory method to study various magnetic orders and their effects on the electronic structures of the FeSe. Our calculated results show that, for the spins of the single Fe layer, the striped…
The Fe electronic structure and magnetism in (i) monoclinic Ca$_2$FeReO$_6$ with a metal-insulator transition at $T_{MI} \sim 140$ K and (ii) quasi-cubic half-metallic Ba$_2$FeReO$_6$ ceramic double perovskites are probed by soft x-ray…
The magnetic structure of Ca$_2$MnReO$_6$ double perovskite is investigated by neutron powder diffraction and bulk magnetization, showing dominant non-collinear Mn magnetic moments [$4.35(7)$ $\mu_B$] that are orthogonally aligned with the…
Among various parent compounds of iron pnictide superconductors, EuFe2As2 stands out due to the presence of both spin density wave of Fe and antiferromagnetic ordering (AFM) of the localized Eu2+ moment. Single crystal neutron diffraction…
The electronic and magnetic properties of ferromagnetic doped manganites are investigated by means of model tight-binding and \textit{ab initio} self-interaction corrected local spin density approximation calculations. It is found that the…
The crystal structure and physical properties of the layered material EuMnBi2 have been characterized by measurements on single crystals. EuMnBi2 is isostructural with the Dirac material SrMnBi2 based on single crystal x-ray diffraction,…
The electronic and magnetic properties of the cubic double perovskite Ba2NaOsO6 were examined by performing first-principles density functional theory calculations and analyzing spin-orbit coupled states of an Os7+ (d1) ion at an octahedral…
Motivated by the search for design principles of rare-earth-free strong magnets, we present a study of electronic structure and magnetic properties of the ferromagnetic metal Fe3GeTe2 within local density approximation (LDA) of the density…
We investigate the electronic structure of BaIrO3, an interesting compound exhibiting charge density wave transition in its insulating phase and ferromagnetic transition at the same temperature, using full potential linearized augmented…
Magnetic and ferroelectric properties of layered geometrically frustrated cluster compound FeTe$_2$O$_5$Br were investigated with single-crystal neutron diffraction and dielectric measurements. Incommensurate amplitude modulated magnetic…
We have investigated the element specific magnetic characteristics of single-crystal FeCr2S4 using x-ray absorption spectroscopy (XAS) and x-ray magnetic circular dichroism (XMCD). We have found that the Fe L2,3-edge XAS spectra do not…
To efficiently manipulate magnetism is a key physical issue for modern condensed matter physics, which is also crucial for magnetic functional applications. Most previous relevant studies rely on the tuning of spin texture, while the spin…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…
The electronic structure and magnetic properties of the strongly correlated material La$_2$O$_3$Fe$_2$Se$_2$ are studied by using both the density function theory plus $U$ (DFT+$U$) method and the DFT plus Gutzwiller (DFT+G) variational…
First-principles calculations were conducted to investigate the structural, electronic and magnetic properties of single Fe atoms and Fe dimers on Cu2N/Cu(100). Upon adsorption of an Fe atom onto Cu2N/Cu(100), robust Fe-N bonds form,…