相关论文: CrO2: a self-doped double exchange ferromagnet
Chromium dioxide (CrO2) offers a rare example of metallic ferromagnetism among stoichiometric transition-metal oxides. What makes it even more remarkable is the half-metallic electronic structure. Today, CrO2 is widely used in…
The electronic structure of CrO_2 is critically discussed in terms of the relation of existing experimental data and well converged LSDA and GGA calculations of the electronic structure and transport properties of this half metal magnet,…
Motivated by a collection of experimental results indicating the strongly correlated nature of the ferromagnetic metallic state of $CrO_{2}$, we present results based on a combination of the actual bandstructure [3] with dynamical…
The problem of importance of strong correlations for the electronic structure, transport and magnetic properties of half--metallic ferromagnetic CrO_2 is addressed by performing density functional electronic structure calculations in the…
A stable polymorph of CrO$_2$ is predicted using PBE+U method. The porous material is isostructural with $\alpha-$MnO$_2$ making it the second transition metal oxide in sparse hollandite group of materials. However, unlike the…
LiCrO2 is a 2D triangular antiferromagnet, isostructural with the common battery material LiCoO2 and a well-known Jahn-Teller antiferromagnet NaNiO2. As opposed to the latter, LiCrO2 exibits antiferromagnetic exchange in Cr planes, which…
The archetypical strongly correlated Mott-phenomena compound V2O3 is known to show a paramagnetic metal-insulator transition driven by doping with chromium atoms and/or (negative) pressure. Via charge self-consistent density-functional…
Combining infrared reflectivity, transport, susceptibility and several diffraction techniques, we find compelling evidence that CaCrO3 is a rare case of a metallic and antiferromagnetic transition-metal oxide with a three-dimensional…
Electronic structure of ferromagnetic half-metal CrO$_2$ was studied by means of 53Cr nuclear magnetic resonance (NMR) spectroscopy and density functional theory (DFT). The measured NMR spectrum consists of three distinct spectral lines and…
Based on the different covalent versus ionic chemical bonding and isoelectronic rutile CrO2, CrNF is proposed starting from ordered rutile derivative structures subjected to full geometry optimizations. The ground state structure defined…
A systematic LSDA+U study of doping effects on the electronic and structural properties of single layer CoO2 is presented. Undoped CoO2 is a charge transfer insulator within LSDA+U and a metal with a high density of states (DOS) at the…
We deduce a model relevant for the description of the ferromagnetic half-metal Chromium dioxide ($CrO_{2}$), widely used in magnetic recording technology. The model describes the effect of dynamical, local orbital correlations arising from…
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 effect of Cr doping with nominal compositions Mn2-xCrxO3 (0 less than equal to x less than equal to 0.10) has been undertaken to investigate its effect on structural, magnetic, dielectric and magnetoelectric properties. The Cr doping…
Interlayer coupling is of vital importance for manipulating physical properties, e.g. electronic bandgap, in two-dimensional materials. However, tuning magnetic proper-ties in these materials is yet to be addressed. Here, we found a striped…
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…
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,…
We present electronic structure calculations of a CrO$_{2}$ compound in the paramagnetic state within the computational scheme of density-functional theory combined with dynamical mean-field theory. We find that CrO$_{2}$ in the…
A detailed theoretical study on the electronic structure and magnetic properties of half-metallic ferromagnet CrO$_2$ was carried out by means of relativistic full-potential linear muffin-tin orbital method within the generalized gradient…
We have grown single crystals of electron doping system Ca2-xLaxRuO4 (0.00 <= x <= 0.20) by a floating zone method. The first order metal/non-metal transition and canted antiferromagnetic ordering occur for 0.00 < x < 0.15, similar to those…