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Geometry and electronic structure of the Zn-doped GaAs (100) β2(2×4) surface: A first-principle study

•Undoped and other four GaAs (100) β2(2×4) surface models with Zn doped in different positions are built.•First-principles modeling techniques are used to investigate surfaces.•The doped Zn reduces the surface work function.•The best position on the surface for Zn to dope is found. The negative elec... Full description

Journal Title: Applied Surface Science 15 October 2013, Vol.283, pp.954-957
Main Author: Guo, Jing
Other Authors: Chang, Benkang , Jin, Muchun , Yang, Mingzhu , Wang, Honggang , Wang, Meishan
Format: Electronic Article Electronic Article
Language: English
Subjects:
ID: ISSN: 0169-4332 ; E-ISSN: 1873-5584 ; DOI: 10.1016/j.apsusc.2013.07.050
Link: http://dx.doi.org/10.1016/j.apsusc.2013.07.050
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recordid: elsevier_sdoi_10_1016_j_apsusc_2013_07_050
title: Geometry and electronic structure of the Zn-doped GaAs (100) β2(2×4) surface: A first-principle study
format: Article
creator:
  • Guo, Jing
  • Chang, Benkang
  • Jin, Muchun
  • Yang, Mingzhu
  • Wang, Honggang
  • Wang, Meishan
subjects:
  • Zn Doping
  • Gaas Β2(2 × 4) Surface
  • Band Structure
  • Work Function
  • Zn Doping
  • Gaas Β2(2×4) Surface
  • Band Structure
  • Work Function
  • Engineering
ispartof: Applied Surface Science, 15 October 2013, Vol.283, pp.954-957
description: •Undoped and other four GaAs (100) β2(2×4) surface models with Zn doped in different positions are built.•First-principles modeling techniques are used to investigate surfaces.•The doped Zn reduces the surface work function.•The best position on the surface for Zn to dope is found. The negative electron affinity GaAs photocathode forms when the Zn-doped GaAs β2(2×4) surface adsorbs atoms Cs and O. In this work, undoped and other four GaAs (100) β2(2×4) surface models with Zn doped in different positions are built. First-principles modeling techniques are used to investigate how the doped Zn impact on the GaAs β2(2×4) surface state and the best Zn-doping position is obtained. It is found that position III is a better position for Zn to dope than the others through the analysis of the atom structures, energy band structures, charge distributions, work functions and surface energy. Zn doped in position III can not only reduce the value of the work function which...
language: eng
source:
identifier: ISSN: 0169-4332 ; E-ISSN: 1873-5584 ; DOI: 10.1016/j.apsusc.2013.07.050
fulltext: fulltext
issn:
  • 0169-4332
  • 01694332
  • 1873-5584
  • 18735584
url: Link


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titleGeometry and electronic structure of the Zn-doped GaAs (100) β2(2×4) surface: A first-principle study
creatorGuo, Jing ; Chang, Benkang ; Jin, Muchun ; Yang, Mingzhu ; Wang, Honggang ; Wang, Meishan
ispartofApplied Surface Science, 15 October 2013, Vol.283, pp.954-957
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subjectZn Doping ; Gaas Β2(2 × 4) Surface ; Band Structure ; Work Function ; Zn Doping ; Gaas Β2(2×4) Surface ; Band Structure ; Work Function ; Engineering
description•Undoped and other four GaAs (100) β2(2×4) surface models with Zn doped in different positions are built.•First-principles modeling techniques are used to investigate surfaces.•The doped Zn reduces the surface work function.•The best position on the surface for Zn to dope is found. The negative electron affinity GaAs photocathode forms when the Zn-doped GaAs β2(2×4) surface adsorbs atoms Cs and O. In this work, undoped and other four GaAs (100) β2(2×4) surface models with Zn doped in different positions are built. First-principles modeling techniques are used to investigate how the doped Zn impact on the GaAs β2(2×4) surface state and the best Zn-doping position is obtained. It is found that position III is a better position for Zn to dope than the others through the analysis of the atom structures, energy band structures, charge distributions, work functions and surface energy. Zn doped in position III can not only reduce the value of the work function which...
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titleGeometry and electronic structure of the Zn-doped GaAs (100) β2(2×4) surface: A first-principle study
description

•Undoped and other four GaAs (100) β2(2×4) surface models with Zn doped in different positions are built.•First-principles modeling techniques are used to investigate surfaces.•The doped Zn reduces the surface work function.•The best position on the surface for Zn to dope is found.

The negative electron affinity GaAs photocathode forms when the Zn-doped GaAs β2(2×4) surface adsorbs atoms Cs and O. In this work, undoped and other four GaAs (100) β2(2×4) surface models with Zn doped in different positions are built. First-principles modeling techniques are used to investigate how the doped Zn impact on the GaAs β2(2×4) surface state and the best Zn-doping position is obtained. It is found that position III is a better position for Zn to dope than the others through the analysis of the atom structures, energy band structures, charge distributions, work functions and surface energy. Zn doped in position III can not only reduce the value of the work function which...

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•Undoped and other four GaAs (100) β2(2×4) surface models with Zn doped in different positions are built.•First-principles modeling techniques are used to investigate surfaces.•The doped Zn reduces the surface work function.•The best position on the surface for Zn to dope is found.

The negative electron affinity GaAs photocathode forms when the Zn-doped GaAs β2(2×4) surface adsorbs atoms Cs and O. In this work, undoped and other four GaAs (100) β2(2×4) surface models with Zn doped in different positions are built. First-principles modeling techniques are used to investigate how the doped Zn impact on the GaAs β2(2×4) surface state and the best Zn-doping position is obtained. It is found that position III is a better position for Zn to dope than the others through the analysis of the atom structures, energy band structures, charge distributions, work functions and surface energy. Zn doped in position III can not only reduce the value of the work function which...

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date2013-10-15