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Title: Atomic and electronic structure of Tl/Ge(111)-(1x1): LEED and ARPES measurements and first-principles calculations

Abstract

We have investigated the atomic and electronic structure of the Tl/Ge(111)-(1x1) surface. The Tl adsorption site was determined to be the T{sub 4} site by dynamical low-energy electron diffraction I-V analysis. The surface electronic structure was measured using angle-resolved photoelectron spectroscopy. By comparing the observed band structure with the first-principles calculation, we revealed that only the Tl 6p electrons are involved in the Tl-Ge bonding and that hybridization of Tl 6s{sup 2}6p valence electrons is negligible. This indicates that the inert-pair effect plays a decisive role in the formation of the (1x1) surface. On the other hand, a surface band is not fully occupied but forms a small hole pocket around {gamma}. We propose that it is caused by a small amount of remaining defects due to the small energy gap. Our calculation including spin-orbit interaction indicates the existence of a large spin-orbit splitting in the lowest unoccupied surface band of Tl 6p{sub x}+6p{sub y} character.

Authors:
; ; ; ; ; ; ; ;  [1]
  1. Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan)
Publication Date:
OSTI Identifier:
21055134
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 76; Journal Issue: 7; Other Information: DOI: 10.1103/PhysRevB.76.075427; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1098-0121
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ADSORPTION; BONDING; CHEMICAL BONDS; DEFECTS; ELECTRON DIFFRACTION; ELECTRONIC STRUCTURE; ELECTRONS; ENERGY GAP; GERMANIUM; HOLES; L-S COUPLING; PHOTOELECTRON SPECTROSCOPY; SEMICONDUCTOR MATERIALS; SPIN; SURFACES; THULIUM

Citation Formats

Hatta, Shinichiro, Kato, Chihiro, Tsuboi, Noriko, Takahashi, Shin, Okuyama, Hiroshi, Aruga, Tetsuya, Harasawa, Ayumi, Okuda, Taichi, Kinoshita, Toyohiko, and Synchrotron Radiation Laboratory, Institute for Solid State Physics. Atomic and electronic structure of Tl/Ge(111)-(1x1): LEED and ARPES measurements and first-principles calculations. United States: N. p., 2007. Web. doi:10.1103/PHYSREVB.76.075427.
Hatta, Shinichiro, Kato, Chihiro, Tsuboi, Noriko, Takahashi, Shin, Okuyama, Hiroshi, Aruga, Tetsuya, Harasawa, Ayumi, Okuda, Taichi, Kinoshita, Toyohiko, & Synchrotron Radiation Laboratory, Institute for Solid State Physics. Atomic and electronic structure of Tl/Ge(111)-(1x1): LEED and ARPES measurements and first-principles calculations. United States. doi:10.1103/PHYSREVB.76.075427.
Hatta, Shinichiro, Kato, Chihiro, Tsuboi, Noriko, Takahashi, Shin, Okuyama, Hiroshi, Aruga, Tetsuya, Harasawa, Ayumi, Okuda, Taichi, Kinoshita, Toyohiko, and Synchrotron Radiation Laboratory, Institute for Solid State Physics. Wed . "Atomic and electronic structure of Tl/Ge(111)-(1x1): LEED and ARPES measurements and first-principles calculations". United States. doi:10.1103/PHYSREVB.76.075427.
@article{osti_21055134,
title = {Atomic and electronic structure of Tl/Ge(111)-(1x1): LEED and ARPES measurements and first-principles calculations},
author = {Hatta, Shinichiro and Kato, Chihiro and Tsuboi, Noriko and Takahashi, Shin and Okuyama, Hiroshi and Aruga, Tetsuya and Harasawa, Ayumi and Okuda, Taichi and Kinoshita, Toyohiko and Synchrotron Radiation Laboratory, Institute for Solid State Physics},
abstractNote = {We have investigated the atomic and electronic structure of the Tl/Ge(111)-(1x1) surface. The Tl adsorption site was determined to be the T{sub 4} site by dynamical low-energy electron diffraction I-V analysis. The surface electronic structure was measured using angle-resolved photoelectron spectroscopy. By comparing the observed band structure with the first-principles calculation, we revealed that only the Tl 6p electrons are involved in the Tl-Ge bonding and that hybridization of Tl 6s{sup 2}6p valence electrons is negligible. This indicates that the inert-pair effect plays a decisive role in the formation of the (1x1) surface. On the other hand, a surface band is not fully occupied but forms a small hole pocket around {gamma}. We propose that it is caused by a small amount of remaining defects due to the small energy gap. Our calculation including spin-orbit interaction indicates the existence of a large spin-orbit splitting in the lowest unoccupied surface band of Tl 6p{sub x}+6p{sub y} character.},
doi = {10.1103/PHYSREVB.76.075427},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 7,
volume = 76,
place = {United States},
year = {2007},
month = {8}
}