Atomic-orbital analysis of ZrB2 valence-band by two-dimensional photoelectron spectroscopy

Rie Horie; Fumihiko Matsui; Hiroshi Daimon; Masaru Takizawa; Hidetoshi Namba; Shigeki Otani; Takashi Aizawa

doi:10.1380/ejssnt.2015.324

Atomic-orbital analysis of ZrB₂ valence-band by two-dimensional photoelectron spectroscopy

Rie Horie, Fumihiko Matsui, Hiroshi Daimon, Masaru Takizawa, Hidetoshi Namba, Shigeki Otani, Takashi Aizawa

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

1 Citation (Scopus)

Abstract

To investigate the electronic state of Zirconium diboride (ZrB₂) (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 ZrB₂ . 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 2p_z, Zr 4d_yz, and Zr 4d_zx 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 d electrons of Zr are donated to the p_z orbital of B, makes the Dirac-cone-like band of ZrB₂.

Original language	English
Pages (from-to)	324-328
Number of pages	5
Journal	e-Journal of Surface Science and Nanotechnology
Volume	13
DOIs	https://doi.org/10.1380/ejssnt.2015.324
Publication status	Published - Jun 20 2015

Keywords

Atomic-orbital analysis
Auger electron spectroscopy
Low energy electron diffraction (LEED)
Synchrotron radiation photoelectron spectroscopy
ZrB(0001)

ASJC Scopus subject areas

Biotechnology
Bioengineering
Condensed Matter Physics
Mechanics of Materials
Surfaces and Interfaces
Surfaces, Coatings and Films

Access to Document

10.1380/ejssnt.2015.324

Cite this

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title = "Atomic-orbital analysis of ZrB2 valence-band by two-dimensional photoelectron spectroscopy",

abstract = "To investigate the electronic state of Zirconium diboride (ZrB2) (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 ZrB2 . 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 2pz, Zr 4dyz, and Zr 4dzx 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 d electrons of Zr are donated to the pz orbital of B, makes the Dirac-cone-like band of ZrB2.",

keywords = "Atomic-orbital analysis, Auger electron spectroscopy, Low energy electron diffraction (LEED), Synchrotron radiation photoelectron spectroscopy, ZrB(0001)",

author = "Rie Horie and Fumihiko Matsui and Hiroshi Daimon and Masaru Takizawa and Hidetoshi Namba and Shigeki Otani and Takashi Aizawa",

note = "Publisher Copyright: {\textcopyright} 2015 The Surface Science Society of Japan.",

year = "2015",

month = jun,

day = "20",

doi = "10.1380/ejssnt.2015.324",

language = "English",

volume = "13",

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journal = "e-Journal of Surface Science and Nanotechnology",

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T1 - Atomic-orbital analysis of ZrB2 valence-band by two-dimensional photoelectron spectroscopy

AU - Horie, Rie

AU - Matsui, Fumihiko

AU - Daimon, Hiroshi

AU - Takizawa, Masaru

AU - Namba, Hidetoshi

AU - Otani, Shigeki

AU - Aizawa, Takashi

PY - 2015/6/20

Y1 - 2015/6/20

N2 - To investigate the electronic state of Zirconium diboride (ZrB2) (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 ZrB2 . 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 2pz, Zr 4dyz, and Zr 4dzx 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 d electrons of Zr are donated to the pz orbital of B, makes the Dirac-cone-like band of ZrB2.

AB - To investigate the electronic state of Zirconium diboride (ZrB2) (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 ZrB2 . 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 2pz, Zr 4dyz, and Zr 4dzx 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 d electrons of Zr are donated to the pz orbital of B, makes the Dirac-cone-like band of ZrB2.

KW - Atomic-orbital analysis

KW - Auger electron spectroscopy

KW - Low energy electron diffraction (LEED)

KW - Synchrotron radiation photoelectron spectroscopy

KW - ZrB(0001)

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