Related papers: Structure and Magnetism in Mn Doped Zirconia: Dens…
We report on detailed structural, electronic and magnetic studies of GdMn$_{1-x}$Cr$_x$O$_3$ for Cr doping levels 0 $\le$ $x$ $\le$ 1. In the solid solutions, the Jahn-Teller distortion associated with Mn$^{3+}$ ions gives rise to major…
Mn2+-doped semiconductor nanocrystals with tuned location and concentration of Mn2+ ions can yield diverse coupling regimes, which can highly influence their optical properties such as emission wavelength and photoluminescence (PL)…
We report room temperature ferromagnetism in boron-doped ZnO both experimentally and theoretically. The single phase Zn1-xBxO films deposited under high oxygen pressure by pulsed-laser deposition show ferromagnetic behavior at room…
We study the composition dependent evolution of geometric and magnetic structures of MnO clusters within density functional theory. A systematic and extensive search through the potential energy surface is performed to identify the correct…
Magneto-optic studies of ZnO doped with transition metals Co, Mn, V and Ti indicate a significant magnetic circular dichroism (MCD) at the ZnO band edge at room temperature, together with an associated dispersive Faraday rotation. Similar…
Experimental studies of Zn1-xCoxO as thin films or nanocrystals have found ferromagnetism and Curie temperatures above room temperature and that p- or n-type doping of Zn1-xCoxO can change its magnetic state. Bulk Zn1-xCoxO with a low…
We use synchrotron x-ray diffraction and electrical transport under pressure to probe both the magnetism and the structure of single crystal NiS2 across its Mott-Hubbard transition. In the insulator, the low-temperature antiferromagnetic…
In this paper we study, both with theoretical and experimental approach, the effect of iron doping in zirconia. Combining density functional theory (DFT) simulations with the experimental characterization of thin films, we show that iron is…
The role of intrinsic defects has been investigated to determine binding energies and the electronic structure of Gd complexes in ZnO. We use density-functional theory and the GW method to show that the presence of vacancies and…
We have evaluated the successes and failures of the Hubbard-corrected density functional theory (DFT+U) approach to study Mg doping of LiCoO$_2$. We computed the effect of the U parameter on the energetic, geometric and electronic…
We report an unusual evolution of structure and magnetism in stoichiometric MnO clusters based on an extensive and unbiased search through the potential energy surface within density functional theory. The smaller clusters, containing up to…
Structural and magnetic properties have been studied for polycrystalline Zn_{1-x}TM_xO, where TM (transition metal ions) = Mn, Fe, and Co. No bulk ferromagnetism was observed for single-phase materials, contrary to the existing theories.…
Single crystal ZnO nanowires doped with indium are synthesized via the laser-assisted chemical vapor deposition method. The conductivity of the nanowires is measured at low temperatures in magnetic fields both perpendicular and parallel to…
We investigated the doping effects of magnetic and nonmagnetic impurities on the single-crystalline p-type Ba0.5K0.5Fe2-2xM2xAs2 (M = Mn, Ru, Co, Ni, Cu and Zn) superconductors. The superconductivity indicates robustly against impurity of…
We address the possibility of non-magnetic doping induced magnetism, in Li doped SnO2 nano-particles. The compounds have been prepared by solid state route at equilibrium and were found to be crystallized in single rutile phase. The…
The half-metallic properties of a new and promising full-Heusler compound, Zr2CoSn, are investigated by means of ab initio calculations within the Density Functional Theory framework. The ferromagnetic ordered Hg2CuTi-type crystal structure…
A brief review of theory of ferromagnetism of dilute magnetic semiconductors of the form (A,Mn)B based on the double exchange model is first given. A systematic investigation of the phenomena extending the current theory is outlined. We…
The understanding of the interplay between different orders in a solid is a key challenge in highly correlated electronic systems. In real systems this is even more difficult since disorder can have a strong influence on the subtle balance…
We present superparamagnetic clusters of structurally highly disordered Co-Zn-O created by high fluence Co ion implantation into ZnO (0001) single crystals at low temperatures. This secondary phase cannot be detected by common x-ray…
We use density functional theory to study the structural, magnetic and electronic structure of the organo-metallic quantum magnet $\mathrm{NiCl_2-4SC(NH_2)_2}$ (DTN). Recent work has demonstrated the quasi-1D nature of the molecular crystal…