Related papers: Ferromagnetism in Cr-doped GaN: A First Principles…
II-oxide and III-nitride semiconductors doped by nonmagnetic 2p light elements are investigated as potential dilute magnetic semiconductors (DMS). Based on our first-principle calculations, nitrogen doped ZnO, carbon doped ZnO, and carbon…
We report the observation of ferromagnetism at over 900K in Cr-GaN and Cr-AlN thin films. The saturation magnetization moments in our best films of Cr-GaN and Cr-AlN at low temperatures are 0.42 and 0.6 u_B/Cr atom, respectively, indicating…
First-principles investigations of the structural, electronic and magnetic properties of Cr-doped AlN/GaN (0001) heterostructures reveal that Cr segregates into the GaN region, that these interfaces retain their important half-metallic…
We present a quantitative theory for the effects of correlated doping on the ferromagnetism of diluted magnetic semiconductors. It predicts that room temperature ferromagnetism should be possible in homogeneous, but correlated, samples of…
The structure, binding energy, magnetic moments and electronic structure of FemIrn clusters are investigated using state of the art density functional theory techniques. Fully unconstrained structural relaxations are undertaken by…
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…
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 report electronic and magnetic structure of arsenic-doped manganese clusters from density-functional theory using generalized gradient approximation for the exchange-correlation energy. We find that arsenic stabilizes manganese clusters,…
Starting from a spin-orbital model for doped manganites, we investigate a competition between ferromagnetic and antiferromagnetic order in a one-dimensional model at finite temperature. The magnetic and orbital order at half filling support…
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…
Density functional calculations are performed to investigate the room temperature ferromagnetism in GaN:Cu nanowires (NWs). Our results indicate that two Cu dopants are most stable when they are near each other. Compared to bulk GaN:Cu, we…
The realization of semiconductors that are ferromagnetic above room temperature will potentially lead to a new generation of spintronic devices with revolutionary electrical and optical properties. Transition temperatures in doped ZnO are…
The development of ferromagnetism in Mn-doped Bi2Te3 is characterized through measurements on a series of single crystals with different Mn content. Scanning tunneling microscopy analysis shows that the Mn substitutes on the Bi sites,…
We investigate the electronic and magnetic properties of (Ga,Mn)N nanocrystals using the density functional theory. We study both wurtzite and zinc-blende structures doped with one or two substitutional Mn impurities. For a single Mn dopant…
It is essential to explore two-dimensional (2D) material with magnetic ordering in new generation spintronic devices. Particularly, the seeking of room-temperature 2D ferromagnetic (FM) materials is a hot topic of current research. Here, we…
The focus of our work is on the production of highly magnetic materials out of Cu clusters. We have studied the relative effects of N-capping as well as N mono-doping on the structural stability and electronic properties of the small Cu…
We present electronic structure calculations in combination with local and non-local many-body correlation effects for the half-metallic ferromagnet CrO$_2$. Finite-temperature Dynamical Mean Field Theory results show the existence of…
The possibility of half-metallic antiferromagnetism, a special case of ferrimagnetism with a compensated magnetization, in the diluted magnetic semiconductors is highlighted on the basis of the first principles electronic structure…
We have synthesized a new ferromagnetic topological insulator by doping Cr to the ternary topological-insulator material TlSbTe2. Single crystals of Tl_{1-x}Cr_{x}SbTe2 were grown by a melting method and it was found that Cr can be…
We report magnetism in carbon doped ZnO. Our first-principles calculations based on density functional theory predicted that carbon substitution for oxygen in ZnO results in a magnetic moment of 1.78 $\mu_B$ per carbon. The theoretical…