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

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

^*Corresponding author for this work

Waseda University

Research output: Contribution to journal › Article › peer-review

13 Citations (Scopus)

Abstract

We have investigated the surface electronic structures of transition-metal diboride (0001) surfaces by angle-resolved ultraviolet photoelectron spectroscopy (AR.UPS) 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.

Original language	English
Pages (from-to)	100-104
Number of pages	5
Journal	e-Journal of Surface Science and Nanotechnology
Volume	4
DOIs	https://doi.org/10.1380/ejssnt.2006.100
Publication status	Published - 2006 Jan 19

Keywords

Ab-initio calculations
Angle-resolved ultraviolet photoelectron spectroscopy
Electronic structure
Transition-metal diboride

ASJC Scopus subject areas

Surfaces, Coatings and Films
Materials Science (miscellaneous)

Access to Document

10.1380/ejssnt.2006.100

Cite this

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title = "Electronic states of NbB2(0001), TaB2(0001) and ZrB2(0001) surfaces studied by angle-resolved ultraviolet photoelectron spectroscopy",

abstract = "We have investigated the surface electronic structures of transition-metal diboride (0001) surfaces by angle-resolved ultraviolet photoelectron spectroscopy (AR.UPS) 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 EF 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.",

keywords = "Ab-initio calculations, Angle-resolved ultraviolet photoelectron spectroscopy, Electronic structure, Transition-metal diboride",

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

year = "2006",

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language = "English",

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T1 - Electronic states of NbB2(0001), TaB2(0001) and ZrB2(0001) surfaces studied by angle-resolved ultraviolet photoelectron spectroscopy

AU - Kumashiro, S.

AU - Tanaka, H.

AU - Kawamata, Y.

AU - Yanagisawa, H.

AU - Momose, K.

AU - Nakamura, G.

AU - Oshima, C.

AU - Otani, S.

PY - 2006/1/19

Y1 - 2006/1/19

N2 - We have investigated the surface electronic structures of transition-metal diboride (0001) surfaces by angle-resolved ultraviolet photoelectron spectroscopy (AR.UPS) 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 EF 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.

AB - We have investigated the surface electronic structures of transition-metal diboride (0001) surfaces by angle-resolved ultraviolet photoelectron spectroscopy (AR.UPS) 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 EF 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.

KW - Ab-initio calculations

KW - Angle-resolved ultraviolet photoelectron spectroscopy

KW - Electronic structure

KW - Transition-metal diboride

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