Room temperature ferromagnetic behavior in the hollandite-type titanium oxide

A hollandite-type K(x)Ti(8)O(16) polycrystalline sample has been prepared and studied by magnetization, resistivity and x-ray photoelectron spectroscopy (XPS). Room temperature ferromagnetic behavior is observed in the magnetic hysteresis measurement. The sample shows a semiconductive temperature dependence in the resistivity measurement. Analysis of the Ti 2p(3/2) core-level XPS spectrum indicates that the titanium ions have a mixed valence of Ti(4+) and Ti(3+). In addition, the valence band spectrum reveals that the 3d electrons tend to localize on Ti(3+) ions in the hollandite-type TiO(2) lattice. Also, analysis of the valence band spectrum shows that the prepared sample is a wide-gap oxide with a band gap of 3.6 eV. These results indicate that the present hollandite-type K(x)Ti(8)O(16) sample can be classified as a TiO(2)-based wide-gap semiconductor with Curie temperature above room temperature. Room temperature ferromagnetism (RTFM) decreases in the sample prepared under a strong reducing gas atmosphere, accompanied with the decrease in the resistivity. The results imply that the localized 3d electrons are responsible for the RTFM of the K(x)Ti(8)O(16) sample

Electronic structures of Cr1−δ_{1-\delta}X (X=S, Te) studied by Cr 2p soft x-ray magnetic circular dichroism

Cr 2p core excited XAS and XMCD spectra of ferromagnetic Cr$_{1-\delta}$Te with several concentrations of $\delta$=0.11-0.33 and ferrimagnetic Cr$_{5}$S$_{6}$ have been measured. The observed XMCD lineshapes are found to very weakly depend on $\delta$ for Cr$_{1-\delta}$Te. The experimental results are analyzed by means of a configuration-interaction cluster model calculation with consideration of hybridization and electron correlation effects. The obtained values of the spin magnetic moment by the cluster model analyses are in agreement with the results of the band structure calculation.The calculated result shows that the doped holes created by the Cr deficiency exist mainly in the Te 5porbital of Cr$_{1-\delta}$Te, whereas the holes are likely to be in Cr 3d state for Cr$_{5}$S$_{6}$.Comment: 8 pages, 6 figures, accepted for publication in Physical Review

Anisotropic Electronic Structure of the Kondo Semiconductor CeFe2Al10 Studied by Optical Conductivity

We report temperature-dependent polarized optical conductivity [$\sigma(\omega)$] spectra of CeFe$_2$Al$_{10}$, which is a reference material for CeRu$_2$Al$_{10}$ and CeOs$_2$Al$_{10}$ with an anomalous magnetic transition at 28 K. The $\sigma(\omega)$ spectrum along the b-axis differs greatly from that in the $ac$-plane, indicating that this material has an anisotropic electronic structure. At low temperatures, in all axes, a shoulder structure due to the optical transition across the hybridization gap between the conduction band and the localized $4f$ states, namely $c$-$f$ hybridization, appears at 55 meV. However, the gap opening temperature and the temperature of appearance of the quasiparticle Drude weight are strongly anisotropic indicating the anisotropic Kondo temperature. The strong anisotropic nature in both electronic structure and Kondo temperature is considered to be relevant the anomalous magnetic phase transition in CeRu$_2$Al$_{10}$ and CeOs$_2$Al$_{10}$.Comment: 5 pages, 4 figure

Itinerant ferromagnetism in half-metallic CoS_2

We have investigated electronic and magnetic properties of the pyrite-type CoS_2 using the linearized muffin-tin orbital (LMTO) band method. We have obtained the ferromagnetic ground state with nearly half-metallic nature. The half-metallic stability is studied by using the fixed spin moment method. The non-negligible orbital magnetic moment of Co 3d electrons is obtained as $\mu_L = 0.06 \mu_B$ in the local spin density approximation (LSDA). The calculated ratio of the orbital to spin angular momenta / = 0.15 is consistent with experiment. The effect of the Coulomb correlation between Co 3d electrons is also explored with the LSDA + U method. The Coulomb correlation at Co sites is not so large, $U \lesssim 1$ eV, and so CoS_2 is possibly categorized as an itinerant ferromagnet. It is found that the observed electronic and magnetic behaviors of CoS_2 can be described better by the LSDA than by the LSDA + U.Comment: 4 pages, 3 postscript figure

Quantitative study of valence and configuration interaction parameters of the Kondo semiconductors CeM2Al10 (M = Ru, Os and Fe) by means of bulk-sensitive hard x-ray photoelectron spectroscopy

The occupancy of the 4f^n contributions in the Kondo semiconductors CeM2Al10(M = Ru, Os and Fe) has been quantitatively determined by means of bulk-sensitive hard x-ray photoelectron spectroscopy (HAXPES) on the Ce 3d core levels. Combining a configuration interaction scheme with full multiplet calculations allowed to accurately describe the HAXPES data despite the presence of strong plasmon excitations in the spectra. The configuration interaction parameters obtained from this analysis -- in particular the hybridization strength V_eff and the effective f binding energy Delta_f -- indicate a slightly stronger exchange interaction in CeOs2Al10 compared to CeRu2Al10, and a significant increase in CeFe2Al10. This verifies the coexistence of a substantial amount of Kondo screening with magnetic order and places the entire CeM2Al10 family in the region of strong exchange interactions.Comment: 9 pages, 4 figures, submitted to Physical Review

Proximity to Fermi-surface topological change in superconducting LaO0.54F0.46BiS2

The electronic structure of nearly optimally-doped novel superconductor LaO$_{1-x}$F$_x$BiS$_2$ (${\it x}$ = 0.46) was investigated using angle-resolved photoemission spectroscopy (ARPES). We clearly observed band dispersions from 2 to 6 eV binding energy and near the Fermi level (${\it E}_{\rm F}$), which are well reproduced by first principles calculations when the spin-orbit coupling is taken into account. The ARPES intensity map near ${\it E}_{\rm F}$ shows a square-like distribution around the $\Gamma$(Z) point in addition to electronlike Fermi surface (FS) sheets around the X(R) point, indicating that FS of LaO$_{0.54}$F$_{0.46}$BiS$_2$ is in close proximity to the theoretically-predicted topological change.Comment: 6 pages, 3 figures, + supplemental materia

Prominent quasi-particle peak in the photoemission spectrum of the metallic phase of V_2O_3

We present the first observation of a prominent quasi-particle peak in the photoemission spectrum of the metallic phase of V_2O_3 and report new spectral calculations that combine the local density approximation with the dynamical mean-field theory (using quantum Monte Carlo simulations) to show the development of such a distinct peak with decreasing temperature. The experimental peak width and weight are significantly larger than in the theory.Comment: 4 pages, 3 figures, supercedes cond-mat/010804