相关论文: Electronic Structure and Origin of Ferromagnetism …

We have studied the electronic structure of Zn$_{0.9}$Fe$_{0.1}$O nano-particles, which have been reported to show ferromagnetism at room temperature, by x-ray photoemission spectroscopy (XPS), resonant photoemission spectroscopy (RPES),…

Fe-doped III-V ferromagnetic semiconductors (FMSs) such as (In,Fe)As, (Ga,Fe)Sb, (In,Fe)Sb, and (Al,Fe)Sb are promising materials for spintronic device applications because of the availability of both n- and p-type materials and the high…

We describe the correlated electronic structure of a prototype Fe-pnictide superconductor, $SmO_{1-x}F_{x}FeAs$, using LDA+DMFT. Strong, multi-orbital electronic correlations generate a low-energy pseudogap in the undistorted phase, giving…

The origin of ferromagnetism in semimagnetic III-V materials is discussed. The indirect exchange interaction caused by virtual electron excitations from magnetic impurity level in the bandgap to the valence band can explain ferromagnetism…

First-principles density functional calculations are performed in C-BN heterojunctions. It is shown that the magnetism of the edge states in zigzag shaped graphene strips and polarity effects in BN strips team up to give a spin asymmetric…

We use ab initio density functional theory to study the equilibrium geometry and electronic structure of few-layer grey arsenic. In contrast to the bulk structure that is semimetallic, few-layer grey As displays a significant band gap that…

In contrast to semiconductors doped with transition metal magnetic elements, which become ferromagnetic at temperatures below ~ 100K, semiconductors doped with non-magnetic ions (e.g. silicon doped with phosphorous) have not shown evidence…

We report the electronic structure of the iron-chalcogenide superconductor, Fe1.04(Te0.66Se0.34), obtained with high resolution angle-resolved photoemission spectroscopy and density functional calculations. In photoemission measurements,…

In this communication, we report a theoretical attempt to understand the involvement of electronic structure in determination of optical and thermal properties of C$_{17}$Ge germagraphene, a buckled two dimensional material. The structure…

The mixed manganite-cuprate CaCu3Mn4O12 is found, using density functional methods, to be a narrow gap (90 meV calculated) ferrimagnetic semiconductor. Cu (formally S=1/2) antialigns with Mn (formally S=3/2), and the net spin moment is 9…

The symmetry and structure of the superconducting gap in the Fe-based superconductor are the central issue for understanding these novel materials. So far the experimental data and theoretical models have been highly controversial. Some…

Electronic structure and cohesive properties of metastable hexagonal AgB_{2} and silver-deficient borides Ag_{0.875}B_{2} and Ag_{0.750}B_{2} were investigated by means of the projected augmented wave method in the framework of the density…

Electronic state modulation of the armchair (6,6) carbon nanotubes filled with a linear assembly of oxygen molecules is addressed theoretically. Ferromagnetic coupling of encapsulated oxygen produces a magnetic field with cylindrical…

We advert to the fact that presence of valence fluctuations (VFs) in semiconductors with in-gap impurity bands unconditionally leads to dynamical changes (fluctuations) of energies of localized impurity states. We provide arguments that in…

The rapidly developing field of ferromagnetism in diluted magnetic semiconductors, where a semiconductor host is magnetically doped by transition metal impurities to produce a ferromagnetic semiconductor (e.g. Ga_{1-x}Mn_xAs with x ~ 1-10…

We have combined the results of magnetization and Hall effect measurements to conclude that the ferromagnetic moments of lightly doped CaB6 samples display no systematic variation with electron doping level. Removal of the surface with acid…

We present electronic structure calculations together with resistivity, susceptibility, and specific heat measurements for TaB$_2$ to search for the recently contradictorily reported superconductivity and to study related normal state…

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…

A strong influence of illumination and electric bias on the Curie temperature and saturation value of the magnetization is demonstrated for semiconductor structures containing a modulation-doped p-type Cd0.96Mn0.04Te quantum well placed in…

We study the electronic structure and correlations of vitamin B12 (cyanocobalamine) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition-metal impurity in a semiconductor host. The parameters of…