Related papers: Impurity-vacancy complexes and ferromagnetism in d…
We investigate the physical properties and electronic structure upon Cr-doping in the iron arsenide layers of BaFe2As2. This form of hole-doping leads to suppression of the magnetic/structural phase transition in BaFe2-xCrxAs2 for x > 0,…
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 analyze the origin of ferromagnetism as a result of carrier mediation in diluted magnetic oxide semiconductors in the light of the experimental evidence reported in the literature. We propose that a combination of percolation of magnetic…
We report \emph{ab initio} predictions on the proper multiferroic (ferromagnetic, insulating and ferroelectric) character of PbTiO$_{3}$ doped with vanadium. V impurities coupled ferromagnetically carry a magnetization of 1 $\mu_{\rm B}$…
We use density functional theory to explore the possibility of making the semiconducting transition-metal dichalcogenide MoS$_2$ ferromagnetic by introducing holes into the narrow Mo $d$ band that forms the top of the valence band. In the…
We carry out a first-principles investigation on magnetism, electronic structure, magneto-optical effects and topological property of newly grown cubic double perovskite Ba2NiOsO6 and its (111) (Ba2NiOsO6)/(BaTiO3)10 superlattice, based on…
We present results for the phase diagram of the parent compound LaCrAsO under electron doping using the matrix random-phase approximation. At low doping levels, the system stabilizes an antiferromagnetic state in which different Cr…
We synthesized pure and Co-doped (6.25 12.5 at.) ZrO$_2$ nanopowders in order to study their magnetic properties.We analyzed magnetic behavior as a function of the amount of Co and the oxygenation, which was controlled by low pressure…
We discuss the necessary symmetry conditions and the different ways in which they can be physically realized for the occurrence of ferromagnetism accompanying the loop current orbital magnetic order observed by polarized neutron-diffraction…
We have carried out detailed magnetic and transport studies of the new Sr0.5Ce0.5FBiS2-xSex (x = 0.5, 1) superconductors derived by doping Se in Sr0.5Ce0.5FBiS2. Se-doping produces several effects: it suppresses semiconducting like behavior…
We show theoretically that the magnetic ions, randomly distributed in a two-dimensional (2D) semiconductor system, can generate a ferromagnetic long-range order via the RKKY interaction. The main physical reason is the discrete (rather than…
Using the first-principles density-functional theory plan-wave pseudopotential method, we investigate the structure and magnetism in 25% Mn substitutive and interstitial doped monoclinic, tetragonal and cubic ZrO2 systematically. Our…
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…
Nominally pure nanocrystalline KTaO3 was thoroughly investigated by micro-Raman and magnetic resonance spectroscopic techniques. In all samples the defect driven ferroelectricity and magnetism are registered. Both ordering states are…
Defect-induced magnetism in graphene has been predicted theoretically and observed experimentally. However, there are open questions about the origin of the magnetic behavior when substitutional impurities with $sp$ electrons are…
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 use density functional theory to calculate the structure, band-gap and magnetic properties of oxygen-deficient SrTi$_{1-x-y}$Fe$_x$Co$_y$O$_{3-\delta}$ with x = y = 0.125 and ${\delta}$ = (0,0.125,0.25). The valence and the high or low…
Using the first-principles density functional approach, we investigate Ca$_2$FeOsO$_6$, a material of double perovskite structure synthesized recently. According to the calculations, Ca$_2$FeOsO$_6$ is a ferrimagnetic Mott-insulator…
Otherwise antiferromagnetic chromium is shown to couple ferromagnetically when doped into GaN irrespective of whether the host is a crystal or a cluster. The results on the doped clusters and crystals are obtained from density functional…
Ferromagnetism is observed below 10 K in [Bi0.75Te0.125Mn0.125]Te. This material has the BiTe structure, which is made from the stacking of two Te-Bi-Te-Bi-Te blocks and one Bi-Bi block per unit cell. Crystal structure analysis shows that…