相关论文: Effects of the crystal structure on the ferromagne…
We study the possibility of d0 ferromagnetism in the compound MgO doped with nitrogen (N). The Haldane-Anderson impurity model is formulated within the tight-binding approximation for determining the host band-structure and the…
Experiments on (Ga,Mn)As in the low-doping insulating phase have shown evidence for the presence of an impurity band at 110 meV above the valence band. The motivation of this paper is to investigate the role of the impurity band in…
Using density functional theory (DFT) based electronic structure calculations, the effects of morphology of semiconducting nano structures on the magnetic interaction between two magnetic dopant atoms as well as a possibility of tuning band…
The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of transition metal (TM=Mn, Co) impurities in p-type ZnO. Based on the total energy considerations, we find a…
We study the electronic structure and the magnetic correlations of cyanocobalamin ($C_{63}H_{88}CoN_{14}O_{14}P$) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition metal impurity in a…
We study a model of a d-wave superconductor with strong potential scatterers in the presence of antiferromagnetic correlations and apply it to experimental nuclear magnetic resonance (NMR) results on Zn impurities in the superconducting…
The conduction electron density of states nearby single magnetic impurities, as measured recently by scanning tunneling microscopy (STM), is calculated, taking into account tunneling into conduction electron states only. The Kondo effect…
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…
The structural, optical and magnetic properties of the Zn1-xMnxO (0 < x < 0.05) thin films synthesized by sol-gel technique have been analyzed in the light of modification of the electronic structure and disorder developed in the samples…
We investigated ZnO(0001) single crystals annealed in high vacuum with respect to their magnetic properties and cluster formation tendency after implant-doping with Fe. While metallic Fe cluster formation is suppressed, no evidence for the…
The conduction electron density of states nearby a single magnetic impurity, as measured recently by scanning tunneling microscopy (STM), is calculated. It is shown that the Kondo effect induces a narrow Fano resonance as an intrinsic…
Zn0.96Mn0.04O samples were synthesized by solid state reaction technique to explore their magnetic behavior. Structural, morphological and magnetic properties of the samples have been found to be modified by 50 MeV Li+3 ion beam…
Using the first-principles density-functional theory plan-wave pseudopotential method, we investigate the structure and magnetism in 25% Mn substitutive and interstitial doped monoclinic, tetragonal and cubic ZrO2 systematically. Our…
It is well established that a correlated quantum impurity embedded in a metallic host can form the many-body Kondo state with itinerant electrons due to the effective antiferromagnetic coupling. Such effect is manifested spectroscopically…
The electronic structure of diluted magnetic semiconductors is studied, especially focusing on the hole character. The Haldane-Anderson model is extend to a magnetic impurity, and is analyzed in the Hartree-Fock approximation. Due to the…
We present a comprehensive study of the energetics and magnetic properties of ZnO clusters doped with 3d transition metals (TM) using ab initio density functional calculations in the framework of generalized gradient approximation + Hubbard…
We use resonant and non-resonant X-ray diffraction measurements in combination with first-principles electronic structure calculations and Monte Carlo simulations to study the relationship between crystal structure and multiferroic orders…
We investigate how magnetic impurities may affect a system exhibiting charge-density wave (CDW) in its ground state. We consider a disordered Hubbard-Holstein model with a homogeneous electron-phonon interaction, but with a (randomly…
We present a realistic study for electronic and magnetic properties in dilute magnetic semiconductor (Ga,Mn)As. A multi-orbital Haldane-Anderson model parameterized by density-functional calculations is presented and solved with the…
We investigate the effect of magnetic impurities on the local quasiparticle density of states (LDOS) in iron-based superconductors. Employing the two-orbital model where 3$d$ electron and hole conduction bands are hybridizing with the…