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A (II,Mn)VI diluted magnetic semiconductor quantum dot with an integer number of electrons controlled with a gate voltage is considered. We show that a single conduction band electron is able to induce a spontaneous collective magnetization…
This paper is a brief review of our recent studies concerning on magnetism and electronic states of lattice systems with Hund coupling. First we examined the effectiveness of the Hund coupling in realizing ferromagnetism in the doubly…
Understanding the magnetic properties of the various Mn doping configurations that can be encountered in $2H$-MoS$_2$ monolayer could be beneficial for its use in spintronics. Using density functional theory plus Hubbard U (DFT$+$U)…
We have found high ferromagnetic transition temperature in Mn delta-doped GaAs-based heterostructures grown on GaAs(001) substrates by molecular beam epitaxy. A 0.3 ML Mn d-doped GaAs samples showed high resistivity at low temperature and…
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…
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 studied structural and magnetic properties of a series of insulating double perovskite compounds, La$_{2-x}$Sr$_{x}$CuRuO$_{6}$ (0 $\le$ x $\le$ 1), representing doping via \textit{A}-site substitution. The end members…
We theoretically investigate the possibility of establishing ferromagnetism in the topological insulator Bi2Se3 via magnetic doping of 3d transition metal elements. The formation energies, charge states, band structures, and magnetic…
Magnetic properties and band characteristics of graphene-nano-ribbon (GNR) modified by Fe, Co, and Ni were analyzed by the first principles DFT calculation. Typical unit cell is [C32H2Fe1], [C32H2Co1] and [C32H2Ni1] respectively. The most…
Energy-efficient switching of nanoscale magnets requires the application of a time-varying magnetic field characterized by microwave frequency. At finite temperatures, even weak thermal fluctuations create perturbations in the magnetization…
Nagaoka's theorem on ferromagnetism in the Hubbard model with one electron less than half filling is generalized to the case where all possible nearest-neighbor Coulomb interactions (the density-density interaction $V$, bond-charge…
Electronic structure properties of nanowires (NW) with diameters of 1.5 nm and 3 nm based on semimetallic $\alpha$-Sn are investigated by employing density functional theory and perturbative $GW$ methods. We explore the dependence of…
In the Fe-doped GaN phase-separated magnetic semiconductor GaFeN, the presence of embedded Ga$_y$Fe$_{4-y}$N nanocrystals determines the magnetic properties of the system. Here, through a combination of anomalous x-ray diffraction and…
We study 1 or 2 neighboring Mn impurities, as well as complexes of 1 Mn and 1 or 2 Mg ions in a 64 atoms supercell of GaN by means of density functional calculations. Taking into account the electron correlation in the local spin density…
By ab initio calculation, Au, Cu, Fe, Ni and Pt adatoms were proposed for modulating the electronic property of graphdiyne naoribbons (GDNRs). GDNRs of 1~4 nm in width were found to be stable at room temperature, and the thermal rates of…
GdN is a ferromagnetic semiconductor which has seen increasing interest in the preceding decades particularly in the areas of spin- and superconducting- based electronics. Here we report a detailed computational study and optical…
The present work reproduces the room temperature ferromagnetism by doping magnetic Mn atoms in diamagnetic ZnO. The ferromagnetic ordering is extended up to 640 K in mechanical milled Zn0.95Mn0.05O samples. The bulk and nanocrystalline…
We calculate the Coulomb interaction induced density, temperature and magnetization dependent many-body band-gap renormalization in a typical diluted magnetic semiconductor GaMnAs in the optimally-doped metallic regime as a function of…
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…
Nanowires with helical surface states represent key prerequisites for observing and exploiting phase-coherent topological conductance phenomena, such as spin-momentum locked quantum transport or topological superconductivity. We demonstrate…