Electronic States of NbB2(0001), TaB2(0001) and ZrB2(0001) Surfaces Studied by Angle-resolved Ultraviolet Photoelectron Spectroscopy

S. Kumashiro; H. Tanaka; Y. Kawamata; H. Yanagisawa; K. Momose; G. Nakamura; C. Oshima; S. Otani

doi:10.1380/ejssnt.2006.100

Conference -ISSS-4-

Electronic States of NbB₂(0001), TaB₂(0001) and ZrB₂(0001) Surfaces Studied by Angle-resolved Ultraviolet Photoelectron Spectroscopy

S. Kumashiro, H. Tanaka, Y. Kawamata, H. Yanagisawa, K. Momose, G. Nakamura, C. Oshima, S. Otani

Author information

S. Kumashiro
Department of Applied Physics, School of Science and Engineering, Waseda University, Japan
H. Tanaka
Corporate Research and Development Center, TOSHIBA, Japan
Y. Kawamata
Department of Applied Physics, School of Science and Engineering, Waseda University, Japan
H. Yanagisawa
Department of Applied Physics, School of Science and Engineering, Waseda University, Japan
K. Momose
Department of Applied Physics, School of Science and Engineering, Waseda University, Japan
G. Nakamura
Department of Applied Physics, School of Science and Engineering, Waseda University, Japan
C. Oshima
Department of Applied Physics, School of Science and Engineering, Waseda University, Japan
S. Otani
National Institute for Materials Science, Japan

Keywords: transition-metal diboride, angle-resolved ultraviolet photoelectron spectroscopy, ab-initio calculations, electronic structure

JOURNAL FREE ACCESS

2006 Volume 4 Pages 100-104

DOI https://doi.org/10.1380/ejssnt.2006.100

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Abstract

We have investigated the surface electronic structures of transition-metal diboride (0001) surfaces by angle-resolved ultraviolet photoelectron spectroscopy (ARUPS) and ab-initio calculations based on the slab model with 13 layers. In the spectra of NbB₂ and TaB₂, the peaks near -1 eV blow E_F are derived from the π band of their surface graphitic boron layer. As compared with graphene, the dispersion curves of the π bonds are greatly modulated by the hybridization of B-π orbits with the metal d orbits. On the other hand, the similar peaks were not observed in spectra of ZrB₂, of which the surface is terminated with Zr atoms. [DOI: 10.1380/ejssnt.2006.100]

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