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Study of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface: A first principle calculation

•We employ first principle to calculate systems of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface.•Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface process is an exothermic chemical process, and the adsorption system is stable.•Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface reduces the work f... Full description

Journal Title: Applied Surface Science 01 October 2013, Vol.282, pp.308-314
Main Author: Yang, Mingzhu
Other Authors: Chang, Benkang , Hao, Guanghui , Guo, Jing , 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.2013.05.124
Link: http://dx.doi.org/10.1016/j.apsusc.2013.05.124
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recordid: elsevier_sdoi_10_1016_j_apsusc_2013_05_124
title: Study of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface: A first principle calculation
format: Article
creator:
  • Yang, Mingzhu
  • Chang, Benkang
  • Hao, Guanghui
  • Guo, Jing
  • Wang, Honggang
  • Wang, Meishan
subjects:
  • Ga(Mg)0.75al0.25n Surface
  • Cs Adsorption
  • Work Function
  • Dipole Moment
  • Optical Properties
  • Ga(Mg)0.75al0.25n Surface
  • Cs Adsorption
  • Work Function
  • Dipole Moment
  • Optical Properties
  • Engineering
ispartof: Applied Surface Science, 01 October 2013, Vol.282, pp.308-314
description: •We employ first principle to calculate systems of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface.•Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface process is an exothermic chemical process, and the adsorption system is stable.•Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface reduces the work function of the surface and forms the structure of p-type bulk with n-type surface.•The absorption coefficient of Cs adsorption system attenuates seriously compared with the clean surface. In order to study the activation process of Ga1−xAlxN photocathodes theoretically, models of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface are built, then the atomic structure, electronic structure, adsorption energy, work function, dipole moment and optical properties of the models are calculated. All calculations are carried out using Cambridge Serial Total Energy Package (CASTEP) based on first principle. Results show that Cs adsorption on Mg doping Ga1−xAlxN (0001) surface...
language: eng
source:
identifier: ISSN: 0169-4332 ; E-ISSN: 1873-5584 ; DOI: 10.1016/j.apsusc.2013.05.124
fulltext: fulltext
issn:
  • 0169-4332
  • 01694332
  • 1873-5584
  • 18735584
url: Link


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titleStudy of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface: A first principle calculation
creatorYang, Mingzhu ; Chang, Benkang ; Hao, Guanghui ; Guo, Jing ; Wang, Honggang ; Wang, Meishan
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subjectGa(Mg)0.75al0.25n Surface ; Cs Adsorption ; Work Function ; Dipole Moment ; Optical Properties ; Ga(Mg)0.75al0.25n Surface ; Cs Adsorption ; Work Function ; Dipole Moment ; Optical Properties ; Engineering
description•We employ first principle to calculate systems of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface.•Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface process is an exothermic chemical process, and the adsorption system is stable.•Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface reduces the work function of the surface and forms the structure of p-type bulk with n-type surface.•The absorption coefficient of Cs adsorption system attenuates seriously compared with the clean surface. In order to study the activation process of Ga1−xAlxN photocathodes theoretically, models of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface are built, then the atomic structure, electronic structure, adsorption energy, work function, dipole moment and optical properties of the models are calculated. All calculations are carried out using Cambridge Serial Total Energy Package (CASTEP) based on first principle. Results show that Cs adsorption on Mg doping Ga1−xAlxN (0001) surface...
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titleStudy of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface: A first principle calculation
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•We employ first principle to calculate systems of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface.•Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface process is an exothermic chemical process, and the adsorption system is stable.•Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface reduces the work function of the surface and forms the structure of p-type bulk with n-type surface.•The absorption coefficient of Cs adsorption system attenuates seriously compared with the clean surface.

In order to study the activation process of Ga1−xAlxN photocathodes theoretically, models of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface are built, then the atomic structure, electronic structure, adsorption energy, work function, dipole moment and optical properties of the models are calculated. All calculations are carried out using Cambridge Serial Total Energy Package (CASTEP) based on first principle. Results show that Cs adsorption on Mg doping Ga1−xAlxN (0001) surface...

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•We employ first principle to calculate systems of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface.•Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface process is an exothermic chemical process, and the adsorption system is stable.•Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface reduces the work function of the surface and forms the structure of p-type bulk with n-type surface.•The absorption coefficient of Cs adsorption system attenuates seriously compared with the clean surface.

In order to study the activation process of Ga1−xAlxN photocathodes theoretically, models of Cs adsorption on Ga(Mg)0.75Al0.25N (0001) surface are built, then the atomic structure, electronic structure, adsorption energy, work function, dipole moment and optical properties of the models are calculated. All calculations are carried out using Cambridge Serial Total Energy Package (CASTEP) based on first principle. Results show that Cs adsorption on Mg doping Ga1−xAlxN (0001) surface...

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lad01Applied Surface Science
date2013-10-01