Electronic structure of YbB6_{6}: Is it a Topological Insulator or not?

To resolve the controversial issue of the topological nature of the electronic structure of YbB$_{6}$, we have made a combined study using density functional theory (DFT) and angle resolved photoemission spectroscopy (ARPES). Accurate determination of the low energy band topology in DFT requires the use of modified Becke-Johnson exchange potential incorporating the spin-orbit coupling and the on-site Coulomb interaction $U$ of Yb $4f$ electrons as large as 7 eV. We have double-checked the DFT result with the more precise GW band calculation. ARPES is done with the non-polar (110) surface termination to avoid band bending and quantum well confinement that have confused ARPES spectra taken on the polar (001) surface termination. Thereby we show definitively that YbB$_{6}$ has a topologically trivial B 2$p$-Yb 5$d$ semiconductor band gap, and hence is a non-Kondo non-topological insulator (TI). In agreement with theory, ARPES shows pure divalency for Yb and a $p$-$d$ band gap of 0.3 eV, which clearly rules out both of the previous scenarios of $f$-$d$ band inversion Kondo TI and $p$-$d$ band inversion non-Kondo TI. We have also examined the pressure-dependent electronic structure of YbB$_{6}$, and found that the high pressure phase is not a Kondo TI but a \emph{p}-\emph{d} overlap semimetal.Comment: The main text is 6 pages with 4 figures, and the supplementary information contains 6 figures. 11 pages, 10 figures in total To be appeared in Phys. Rev. Lett. (Online publication is around March 16 if no delays.

Influence of oxygen vacancy on the electronic structure of HfO2_2 film

We investigated the unoccupied part of the electronic structure of the oxygen-deficient hafnium oxide (HfO$_{\sim1.8}$) using soft x-ray absorption spectroscopy at O $K$ and Hf $N_3$ edges. Band-tail states beneath the unoccupied Hf 5$d$ band are observed in the O $K$-edge spectra; combined with ultraviolet photoemission spectrum, this indicates the non-negligible occupation of Hf 5$d$ state. However, Hf $N_3$-edge magnetic circular dichroism spectrum reveals the absence of a long-range ferromagnetic spin order in the oxide. Thus the small amount of $d$ electron gained by the vacancy formation does not show inter-site correlation, contrary to a recent report [M. Venkatesan {\it et al.}, Nature {\bf 430}, 630 (2004)].Comment: 5 pages, 4 figures, submitted to Phys. Rev.

A Spectral Line Survey from 138.3 to 150.7 GHZ toward Orion-KL

We present the results of a spectral line survey from 138.3 to 150.7 GHz toward Orion-KL. The observations were made using the 14 m radio telescope of Taeduk Radio Astronomy Observatory. Typical system temperatures were between 500 and 700 K, with the sensitivity between $0.02 - 0.06$ K in units of $\rm T_A^*$. A total of 149 line spectra are detected in this survey. Fifty lines have been previously reported, however we find 99 new detections. Among these new lines, 32 are `unidentified', while 67 are from molecular transitions with known identifications. There is no detection of H or He recombination lines. The identified spectra are from a total of 16 molecular species and their isotopic variants. In the range from 138.3 to 150.7 GHz, the strongest spectral line is the J=3-2 transition of CS molecule, followed by transitions of the $\rm H_2CO$, $\rm CH_3OH$, $\rm CH_3CN$, and $\rm SO_2$. Spectral lines from the large organic molecules such as $\rm CH_3OH$, $\rm CH_3OCH_3$, $\rm HCOOCH_3$, $\rm C_2H_5CN$ and $\rm CH_3CN$ are prominent; with 80 % of the identified lines arising from transitions of these molecules. The rotational temperatures and column densities are derived using the standard rotation diagram analysis for $\rm CH_3OH$ ($\rm ^{13}CH_3OH$), $\rm HCOOCH_3$, $\rm CH_3CN$ and $\rm SO_2$ with $\rm 10\sim 270 K$ and $\rm 0.2\sim 20\times 10^{15} cm^{-2}$. These estimates are fairly comparable to the values for the same molecule in other frequency regions by other studies.Comment: 10 figures, 2 tex files for a manuscript and tables, accepted to Ap

Electronic structures of Zn1−x_{1-x}Cox_xO using photoemission and x-ray absorption spectroscopy

Electronic structures of Zn$_{1-x}$Co$_x$O have been investigated using photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). The Co 3d states are found to lie near the top of the O $2p$ valence band, with a peak around $\sim 3$ eV binding energy. The Co $2p$ XAS spectrum provides evidence that the Co ions in Zn$_{1-x}$Co$_{x}$O are in the divalent Co$^{2+}$ ($d^7$) states under the tetrahedral symmetry. Our finding indicates that the properly substituted Co ions for Zn sites will not produce the diluted ferromagnetic semiconductor property.Comment: 3 pages, 2 figure

Electronic structures of La3_3S4_4 and Ce3_3S4_4

We have investigated electronic structures of La$_3$S$_4$ and Ce$_3$S$_4$ using the LSDA and LSDA+$U$ methods. Calculated density of states (DOS) are compared with the experimental DOS obtained by the valence band photoemission spectroscopy. The DOS at $E_{\rm{F}}$ indicates the 5$d$ character in La$_3$S$_4$ and 4$f$ character in Ce$_3$S$_4$. It is found to be nearly half metallic in the ferromagnetic ground state of Ce$_3$S$_4$. %Ce$_3$S$_4$ has ferromagnetic ground states with spin and orbital magnetic %moments of 1.27 $\mu_{\rm{B}}$ and $-$2.81 $\mu_{\rm{B}}$ per Ce, respectively, %and shows nearly half metallic ground state. We discuss the superconductivity and structural transition in La$_3$S$_4$, and the absence of structural transition in Ce$_3$S$_4$.Comment: Transport and Thermal Properties of Advanced Materials(Aug. 2002; Hiroshima, Japan

Irreversible proliferation of magnetic moments at cleaved surfaces of the topological Kondo insulator SmB6

The compound SmB$_6$ is the best established realization of a topological Kondo insulator, in which a topological insulator state is obtained through Kondo coherence. Recent studies have found evidence that the surface of SmB$_6$ hosts ferromagnetic domains, creating an intrinsic platform for unidirectional ballistic transport at the domain boundaries. Here, surface-sensitive X-ray absorption (XAS) and bulk-sensitive resonant inelastic X-ray scattering (RIXS) spectra are measured at the Sm N$_{4,5}$-edge, and used to evaluate electronic symmetries, excitations and temperature dependence near the surface of cleaved samples. The XAS data show that the density of large-moment atomic multiplet states on a cleaved surface grows irreversibly over time, to a degree that likely exceeds a related change that has recently been observed in the surface 4f orbital occupation