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The magnetic polarization induced by nonmagnetic impurities such as Zn in high Tc cuprate compounds is studied by the variational Monte Carlo simulation. The variational wave function is constructed from the eigenstates obtained from…
This paper, based on a presentation at the Spintronics 2001 conference, provides a review of our studies on II-VI and III-V Mn-doped Diluted Magnetic Semiconductors. We use simple models appropriate for the low carrier density (insulating)…
A theory of collective states in a magnetically quantized two-dimensional electron gas (2DEG) with half-filled Landau level (quantized Hall ferromagnet) in the presence of magnetic 3d impurities is developed. The spectrum of bound and…
We study the zero-bandwidth limit of the two-impurity Anderson model in an antiferromagnetic (AF) metal. We calculate, for different values of the model parameters, the lowest excitation energy, the magnetic correlation…
We calculate the temperature dependent long-range magnetic coupling in the presence of dilute concentrations of random magnetic impurities in chiral multilayer two-dimensional semimetals, i.e., undoped intrinsic multilayer graphene.…
The magnetic properties of dilute magnetic semiconductors (DMS) are calculated from first-principles by mapping the ab initio results on a classical Heisenberg model. It is found that the range of the exchange interaction in (Ga, Mn)N is…
Combining ab initio calculations and effective models derived from them, we discuss the electronic structure of oxygen doped gold chains when one Au atom is replaced by any transition-metal atom of the $3d$ series. The effect of O doping is…
We have applied the many-body ab-initio diffusion quantum Monte Carlo (DMC) method to study Zn and ZnO crystals under pressure, and the energetics of the oxygen vacancy, zinc interstitial and hydrogen impurities in ZnO. We show that DMC is…
We use quantum Monte Carlo method to study the indirect coupling between two magnetic impurities on the zigzag edge of graphene ribbon, with respect to the chemical potential $\mu$. We find that the spin-spin correlation between two adatoms…
Using the density matrix renormalization-group technique, we calculate the impurity energy levels for two different effective models of off-chain doping for quasi-one-dimensional Heisenberg chain compound Y$_2$ Ba Ni O$_5$: ferromagnetic…
The magnetic properties of graphene-related materials and in particular the spin-polarised edge states predicted for pristine graphene nanoribbons (GNRs) with certain edge geometries have received much attention recently due to a range of…
We study the low-temperature thermodynamics of a spin-S magnetic impurity coupled to m degenerate bands of interacting electrons in one dimension. By exploiting boundary conformal field theory techniques, we derive exact results for the…
We present a detailed study, within the mean-field approximation, of an impurity band model for III-V diluted magnetic semiconductors. Such a model should be relevant at low carrier densities, below and near the metal-insulator transition.…
Some well-established examples of itinerant-electron ferromagnetism in one dimension occur in a Mott-insulating phase. We examine the consequences of doping a ferromagnetic insulator and cou- pling magnons to gapless charge fluctuations.…
We report a first-principles study on the geometric, electronic and magnetic properties of V-doped anatase TiO$_{2}$. The DFT+U (Hubbard coefficient) approach predicts semiconductor band structures for Ti$_{1-x}$V$_{x}$O$_{2}$ (x=6.25 and…
We analyze the ground state properties of the two-dimensional quantum antiferromagnet with a S=1/2 Kondo impurity. Perturbation theory around the strong Kondo coupling limit is developed and the results compared with studies, based on exact…
We investigate the effect of spin-orbit coupling on the behavior of magnetic impurity at the edge of a zigzag graphene ribbon by means of quantum Monte Carlo simulations. A peculiar interplay of Kane-Mele type spin-orbit and impurity-host…
The effects of Gd doping and O vacancies on the magnetic interaction and Curie temperature of EuO are studied using first-principles calculations. Linear response calculations in the virtual crystal approximation show a broad maximum in the…
The effect of hydrogenation on magnetic properties of Zn0.85Co0.05Li0.10O nanoparticles is presented. It was found that the sample hydrided at room temperature (RT) showed weak ferromagnetism (FM) while that hydrided at 400oC showed robust…
Dilute magnetic semiconductors (DMS) are nonmagnetic semiconductors doped with magnetic transition metals. The recently discovered DMS material (Ba$_{1-x}$K$_{x}$)(Zn$_{1-y}$Mn$_{y}$)$_{2}$As$_{2}$ offers a unique and versatile control of…