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Density functional theory is used to explore the possibility of inducing impurity band ferromagnetism in monolayers of semiconducting MoS2 by introducing holes into the narrow Mo 4d band that forms the top of the valence band. A large out…
We study the ferromagnetism of Ga1-xMnxAs by using a model Hamiltonian, based on an impurity band and the anti-ferromagnetic exchange interaction between the spins of Mn atoms and the charge carriers in the impurity band. Based on the mean…
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 and magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO have been investigated using first-principles methods. We show that the magnetic coupling between Gd or Nd ions in the nearest neighbor sites…
Effects of nonmagnetic impurity doping on an AF spin-1/2 Heisenberg ladder system are studied by the QMC method. A single nonmagnetic impurity induces a localized spin-1/2 moment accompanied by "static" and enhanced AF correlations around…
A density functional theory study of substitutional carbon impurities in ZnO has been performed, using both the generalized gradient approximation (GGA) and a hybrid functional (HSE06) as exchange-correlation functional. It is found that…
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…
Impurity effect is systematically studied in doped Haldane material Pb(Ni$_{1-x}$$M_x$)$_2$V$_2$O$_8$ ($M$ = Mn, Co, Cu, and Mg) by use of DC and AC susceptibility, and heat capacity measurements. The occurrence of three-dimensional ordered…
The nature of the often reported room temperature ferromagnetism in transition metal doped oxides is still a matter of huge debate. Herein we report on room temperature ferromagnetism in high quality Co-doped ZnO (Zn1-xCoxO) bulk samples…
The magnetic properties of Mn-doped ZnO semi-conductor have been investigated using the Monte Carlo method within the Ising model. The temperature dependences of the spontaneous magnetization, specific heat and magnetic susceptibility have…
We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…
We explore the effect of a (non) magnetic impurity on the thermal transport of the spin-1/2 Heisenberg chain model. This unique system allows to probe Kondo-type phenomena in a prototype strongly correlated system. Using numerical…
A microscopic model of indirect exchange interaction between transition metal impurities in dilute magnetic semiconductors (DMS) is proposed. The hybridization of the impurity d-electrons with the heavy hole band states is largely…
Open segments of S=1 antiferromagnetic spin chains are studied at finite temperatures and fields using continuous time Quantum Monte Carlo techniques. By calculating the resulting magnetization profiles for a large range of chain lengths…
We consider a magnetic impurity which interacts by hybridization with a system of strongly correlated conduction electrons. The latter are described by a Hubbard Hamiltonian. By means of a canconical transformation the charge degrees of…
We present a Quantum Monte Carlo study for Heisenberg spin-1/2 two leg ladder systems doped with non magnetic impurities. The simulations are applied to the doped spin ladder compound SrCu2O3 doped with Zn, where a large broadening of the…
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…
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…
The thermal behavior of a one-dimensional antiferromagnetic chain doped by donor impurities was analyzed. The ground state of such a chain corresponds to the formation of a set of ferromagnetically correlated regions localized near…
We use a quantum Monte Carlo method (stochastic series expansion) to study the effects of a magnetic or nonmagnetic impurity on the magnetic susceptibility of the two-dimensional Heisenberg antiferromagnet. At low temperatures, we find a…