Related papers: Half-metallic diluted antiferromagnetic semiconduc…
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…
The discovery of reversible 300 K ferromagnetic ordering in a diluted magnetic semiconductor is reported. Switching of room-temperature ferromagnetism between "on" and "off" states is achieved in Co2+:ZnO by lattice incorporation and…
We report on first-principles calculations of multilayers of zinc-blende half-metallic ferromagnets CrAs and CrSb with III-V and II-VI semiconductors, in the [001] orientation. We examine the ideal and tetragonalised structures, as well as…
In the framework of the generalized mean field theory, conditions for arising the ferromagnetic state in a two-dimensional diluted magnetic semiconductor and the features of that state are defined. RKKY-interaction of magnetic impurities is…
We design a multiferroic metal that combines seemingly incompatible ferromagnetism, ferroelectricity, and metallicity by hole doping a two-dimensional (2D) ferroelectric with high density of states near the Fermi level. The strong…
For modeling the magnetic properties of concentrated and diluted magnetic semiconductors, we use the Kondo-lattice model. The magnetic phase diagram is derived by inspecting the static susceptibility of itinerant band electrons, which are…
By means of first-principles calculations, we predict two new types of partially hydrogenated graphene systems: C$_{6}$H$_{1}$ and C$_{6}$H$_{5}$, which are shown to be ferromagnetic (FM) semimetal and FM narrow-gap semiconductor,…
Contrary to prior calculations, the Ni-rich ordered structures of the Cr-Ni alloy system are found to be antiferromagnetic under semi-local density-functional theory. The optimization of local magnetic moments significantly increases the…
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…
We investigate the effect of quantum confinement on the ferromagnetism of diluted magnetic semiconductor Ga$_{1-x}$Mn$_x$As using a combination of tight-binding and density functional methods. We observe strong majority-spin Mn $d$-As $p$…
Half-metallic ferromagnetic full-Heusler alloys containing Co and Mn, having the formula Co$_2$MnZ where Z a sp element, are among the most studied Heusler alloys due to their stable ferromagnetism and the high Curie temperatures which they…
We present a general framework to describe the simultaneous para-to-ferromagnetic and semiconductor-to-metal transition in electron-doped EuO. The theory correctly describes detailed experimental features of the conductivity and of the…
In a recent Letter, Berciu and Bhatt have presented a mean-field theory of ferromagnetism in III-V semiconductors doped with manganese, starting from an impurity band model. We show that this approach gives an unphysically broad impurity…
We report the discovery of a new diluted magnetic semiconductor, Li(Zn,Mn)P, in which charge and spin are introduced independently via lithium off-stoichiometry and the isovalent substitution of Mn2+ for Zn2+, respectively. Isostructural to…
Parameters of the energy gap and, consequently, electronic, magnetic and galvanomagnetic properties in different X$_2$YZ Heusler alloys can vary quite strongly. In particular, half-metallic ferromagnets (HMFs) and spin gapless…
We present a study of the electronic structure and magnetism of Co$_2$MnAl, CoMnVAl and their heterostructure. We employ a combination of density-functional theory and dynamical mean-field theory (DFT+DMFT). We find that Co$_2$MnAl is a…
The review considers various groups of Heusler compounds, which can have the properties of a semiconductor, a half-metallic ferromagnet, a spin gapless semiconductor, a topological semimetal, and a noncollinear antiferromagnet. In these…
The electronic structure of the VAs compound in the zinc-blende structure is investigated using a combined density-functional and dynamical mean-field theory approach. Contrary to predictions of a ferromagnetic semiconducting ground state…
Guided by the internal-reference rule and the known band offsets in III-V and II-VI diluted magnetic semiconductors, we discuss the feasibility of obtaining p-type conductivity, required for the carrier-induced ferromagnetism, as well as…
Electronic structure calculations using quantum Monte Carlo (QMC) methods conclusively show that pure CaB$_6$ is a narrow-gap semiconductor with an $X$-point gap $\sim 1.3$ eV. This should put to rest controversies as to whether the…