相关论文: Density functional calculations for III-V diluted …
A density functional theory of ferromagnetism in heterostructures of compound semiconductors doped with magnetic impurities is presented. The variable functions in the density functional theory are the charge and spin densities of the…
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)…
Recent materials research has advanced the maximum ferromagnetic transition temperature in semiconductors containing magnetic elements toward room temperature. Reaching this goal would make information technology applications of these…
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…
The body of research on (III,Mn)V diluted magnetic semiconductors initiated during the 1990's has concentrated on three major fronts: i) the microscopic origins and fundamental physics of the ferromagnetism that occurs in these systems, ii)…
Diluted ferromagnetic III-V semiconductors typically show a high degree of compensation. Compensation is connected to the presence of comparable densities of charged defects of either sign. This naturally leads to the development of strong…
This review compiles results of experimental and theoretical studies on thin films and quantum structures of semiconductors with randomly distributed Mn ions, which exhibit spintronic functionalities associated with collective ferromagnetic…
Density functional perturbation theory is a well-established method to study responses of molecules and solids, especially responses to atomic displacements or to different perturbing fields (electric, magnetic). Like for density functional…
We report results of a Monte Carlo study of doped, diluted magnetic semiconductors in the low carrier density (insulating) regime. We find that the system undergoes a transition from a paramagnet at high temperatures to a ferromagnet at low…
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.…
Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…
We present results of a numerical mean field treatment of interacting spins and carriers in doped diluted magnetic semiconductors, which takes into account the positional disorder present in these alloy systems. Disorder is found to enhance…
The density functional theory for superconductors developed in the preceding article [cond-mat/0408685] is applied to the calculation of superconducting properties of several elemental metals. In particular, we present results for the…
The journey of theoretical study on semiconductors is reviewed in a non-conventional way. We have started with the basic introduction of Hartree-Fock method and introduce the fundamentals of Density Functional Theory (DFT). From the oldest…
Density-corrected density functional theory (DC-DFT) is enjoying substantial success in improving semilocal DFT calculations in a wide variety of chemical problems. This paper provides the formal theoretical framework and assumptions for…
We present a study of the dielectric function of metallic (III,Mn)V diluted magnetic semiconductors in the infrared regime. Our theoretical approach is based on the kinetic exchange model for carrier induced (III,Mn)V ferromagnetism. The…
We present density functional theory calculations of phosphorus dopants in bulk silicon and of several properties relating to their use as spin qubits for quantum computation. Rather than a mixed pseudopotential or a Heitler-London…
A model recently introduced for diluted magnetic semiconductors by Berciu and Bhatt (PRL 87, 107203 (2001)) is studied with a Monte Carlo technique, and the results are compared to Hartree-Fock calculations. For doping rates close to the…
We propose a new method for accurately calculating electrical transport properties of a lightly-doped thermoelectric material from density functional theory (DFT) calculations, based on experimental data and density functional theory…
The rapidly developing field of ferromagnetism in diluted magnetic semiconductors, where a semiconductor host is magnetically doped by transition metal impurities to produce a ferromagnetic semiconductor (e.g. Ga_{1-x}Mn_xAs with x ~ 1-10…