Atomic-Orbital Analysis of ZrB<sub>2 </sub>Valence-Band by Two-Dimensional Photoelectron Spectroscopy

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Author(s)

    • Horie Rie
    • Graduate School of Materials Science, Nara Institute of Science and Technology (NAIST)
    • Matsui Fumihiko
    • Graduate School of Materials Science, Nara Institute of Science and Technology (NAIST)
    • Daimon Hiroshi
    • Graduate School of Materials Science, Nara Institute of Science and Technology (NAIST)
    • Takizawa Masaru
    • Department of Physical Sciences, Faculty of Science and Engineering, Ritsumeikan University
    • Namba Hidetoshi
    • Department of Physical Sciences, Faculty of Science and Engineering, Ritsumeikan University

Abstract

To investigate the electronic state of Zirconium diboride (ZrB<sub>2</sub>) (0001) clean surface, we measured two-dimensional photoelectron intensity angular distribution (PIAD) patterns with a display-type spherical mirror analyzer (DIANA). As a result, we obtained two-dimensional band dispersion cross section patterns of ZrB<sub>2</sub>. In these patterns, we observed the transition-matrix-element effect of linearly-polarized light excitation. Comparing the experimental data to the calculation results, we concluded that the band at the K point at a binding energy of 3.4 eV consists of B 2<i>p</i><sub>z</sub>, Zr 4<i>d</i><sub>yz</sub>, and Zr 4<i>d</i><sub>zx</sub> orbitals. This suggests that this band is the bonding state between the B layer and the Zr layer. We confirmed that this hybrid orbital, where the <i>d</i> electrons of Zr are donated to the <i>p</i><sub>z</sub> orbital of B, makes the Dirac-cone-like band of ZrB<sub>2</sub>. [DOI: 10.1380/ejssnt.2015.324]

Journal

  • e-Journal of Surface Science and Nanotechnology

    e-Journal of Surface Science and Nanotechnology 13(0), 324-328, 2015

    The Surface Science Society of Japan

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