Related papers: Impurity-vacancy complexes and ferromagnetism in d…
We describe the doping effects on a metallic breathing pyrochlore compound, Cr4PtGa17. Upon doping with Sb, i.e., Cr4Pt(Ga1-xSbx)17, it was found that a selective doping on one of the seven Ga sites occurs. With increasing dopant level, the…
We demonstrate that room-temperature ferromagnetism in epitaxial Co-doped TiO2 anatase is driven by electron-mediated exchange interaction, and not by metallic Co clusters. Co(II) substitutes for Ti(VI) in the lattice and produces oxygen…
Band structure calculations of CrO2 carried out in the LSDA+U approach reveal a clear picture of the physics behind the metallic ferromagnetic properties. Arguments are presented that the metallic ferromagnetic oxide CrO2 belongs to a class…
Doping ferroelectrics with carriers is often detrimental to polarization. This makes the design and discovery of metals that undergo a ferroelectric-like transition challenging. In this letter, we show from first principles that the oxygen…
Ferromagnetism and accompanying large negative magnetoresistance in Pb-substituted Bi-Sr-Co-O misfit-layer compound are investigated in detail. Recent structural analysis of (Bi,Pb)${}_2$Sr${}_{3}$Co${}_2$O${}_9$, which has been believed to…
The development of ferromagnetism in Mn-doped Bi2Te3 is characterized through measurements on a series of single crystals with different Mn content. Scanning tunneling microscopy analysis shows that the Mn substitutes on the Bi sites,…
Mn-doped SrTiO_3.0, when synthesized free of impurities, is a paramagnetic insulator with interesting dielectric properties. Since delocalized charge carriers are known to promote ferromagnetism in a large number of systems via diverse…
Using the first-principles density-functional approach, magnetic properties of Mn-, Fe-, Co-, and Ni-doped rutile TiO2 were investigated for two different impurity concentrations (25% and 6.25%). Calculations were performed with the…
The theory of doped excitonic insulators is reinvestigated in light of recent experiments on hexaborides. For the appropriate valley-degenerate X_3,X_3' band structure, ``intra-valley'' condensation is energetically favored. Ferromagnetism…
First-principles calculations to study the electronic and magnetic properties of bulk, oxygen-deficient SrTiO$_3$ (STO) under different doping conditions and densities have been conducted. The appearance of magnetism in oxygen-deficient STO…
The magnetism in the correlated metal CaRuO$_3$ is enigmatic as it is poised near a triple point among the ferromagnetic, antiferromagnetic, and paramagnetic ground states. Here we report a detailed work on structural, spectroscopic,…
The conditions under which ferromagnetism may occur in transition metal oxides with partially filled $t_{2g}$ shells such as vanadium-based perovskites are studied using a combination of density functional and single-site dynamical mean…
We show that doped cubic iron pyrite, which is a diamagnetic semiconductor, becomes ferromagnetic when $p$-type doped. We furthermore find that this material can exhibit high spin polarization both for tunneling and transport devices. These…
We have synthesized a new ferromagnetic topological insulator by doping Cr to the ternary topological-insulator material TlSbTe2. Single crystals of Tl_{1-x}Cr_{x}SbTe2 were grown by a melting method and it was found that Cr can be…
Topological insulators doped with magnetic impurities has become a promising candidate for Quantum Anomalous Hall Effect (QAHE) in the dilute doping limit. The crucial factor in realizing the QAHE in these systems is the spontaneous…
We report spin polarized density functional calculations of ferromagnetic properties of a series of ZnO clusters and solid containing one or two substitutional carbon impurities. We analyze the eigen value spectra, spin densities and…
The effect of additional doping of charge impurities was investigated in a ferromagnetic semiconductor Zn$_{1-x}$Cr$_{x}$Te. It was found that the doping of iodine, which is expected to act as an n-type dopant in ZnTe, brought about a…
The doping of the manganese site by iridium (up to 15%) in the small A cation manganites Pr_{1-x}Ca_xMnO_3 (0.4 < x < 0.8), has been investigated as a new method to suppress charge-ordering and induce CMR effects. Ir doping leads to…
The possibility to induce ferromagnetism and insulator to metal transitions in small A site cation manganites Ln_{1-x}Ca_xMnO_3 by rhodium doping is shown for the first time. Colossal magnetoresistance (CMR) properties are evidenced for a…
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…