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Theoretical study on optoelectronic properties of Ga0.75Al0.25N (001) reconstruction surfaces

•We employ first principle to calculate two types of Ga0.75Al0.25N (001) reconstruction surfaces.•The work function values of (2×2) and c(2×2) reconstruction surfaces are 3.084eV and 3.431eV, respectively.•The Ga0.75Al0.25N c(2×2) reconstruction surface is more stable than the Ga0.75Al0.25N (2×2) re... Full description

Journal Title: Applied Surface Science 15 December 2013, Vol.287, pp.1-7
Main Author: Yang, Mingzhu
Other Authors: Chang, Benkang , Guo, Jing , Hao, Guanghui , Shi, Feng , 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.2013.08.091
Link: http://dx.doi.org/10.1016/j.apsusc.2013.08.091
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recordid: elsevier_sdoi_10_1016_j_apsusc_2013_08_091
title: Theoretical study on optoelectronic properties of Ga0.75Al0.25N (001) reconstruction surfaces
format: Article
creator:
  • Yang, Mingzhu
  • Chang, Benkang
  • Guo, Jing
  • Hao, Guanghui
  • Shi, Feng
  • Wang, Honggang
  • Wang, Meishan
subjects:
  • Reconstruction Surfaces
  • Work Function
  • Surface Energy
  • Optical Properties
  • Reconstruction Surfaces
  • Work Function
  • Surface Energy
  • Optical Properties
  • Engineering
ispartof: Applied Surface Science, 15 December 2013, Vol.287, pp.1-7
description: •We employ first principle to calculate two types of Ga0.75Al0.25N (001) reconstruction surfaces.•The work function values of (2×2) and c(2×2) reconstruction surfaces are 3.084eV and 3.431eV, respectively.•The Ga0.75Al0.25N c(2×2) reconstruction surface is more stable than the Ga0.75Al0.25N (2×2) reconstruction surface.•The absorption coefficients of the surfaces are smaller than that of the bulk. To research the electronic structure and optical properties of Ga0.75Al0.25N (001) (2×2) and c(2×2) reconstruction surfaces, two reconstruction surface models are built. The band structure, density of states, work function, surface energy, and optical properties of the two reconstruction surfaces are calculated based on first principles. Results show that c(2×2) reconstruction surface is more stable than (2×2) reconstruction surface. The work functions of the two reconstruction surfaces are 3.084eV and 3.431eV, respectively. The band gaps of the surfaces become small...
language: eng
source:
identifier: ISSN: 0169-4332 ; E-ISSN: 1873-5584 ; DOI: 10.1016/j.apsusc.2013.08.091
fulltext: fulltext
issn:
  • 0169-4332
  • 01694332
  • 1873-5584
  • 18735584
url: Link


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titleTheoretical study on optoelectronic properties of Ga0.75Al0.25N (001) reconstruction surfaces
creatorYang, Mingzhu ; Chang, Benkang ; Guo, Jing ; Hao, Guanghui ; Shi, Feng ; Wang, Honggang ; Wang, Meishan
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description•We employ first principle to calculate two types of Ga0.75Al0.25N (001) reconstruction surfaces.•The work function values of (2×2) and c(2×2) reconstruction surfaces are 3.084eV and 3.431eV, respectively.•The Ga0.75Al0.25N c(2×2) reconstruction surface is more stable than the Ga0.75Al0.25N (2×2) reconstruction surface.•The absorption coefficients of the surfaces are smaller than that of the bulk. To research the electronic structure and optical properties of Ga0.75Al0.25N (001) (2×2) and c(2×2) reconstruction surfaces, two reconstruction surface models are built. The band structure, density of states, work function, surface energy, and optical properties of the two reconstruction surfaces are calculated based on first principles. Results show that c(2×2) reconstruction surface is more stable than (2×2) reconstruction surface. The work functions of the two reconstruction surfaces are 3.084eV and 3.431eV, respectively. The band gaps of the surfaces become small...
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titleTheoretical study on optoelectronic properties of Ga0.75Al0.25N (001) reconstruction surfaces
description

•We employ first principle to calculate two types of Ga0.75Al0.25N (001) reconstruction surfaces.•The work function values of (2×2) and c(2×2) reconstruction surfaces are 3.084eV and 3.431eV, respectively.•The Ga0.75Al0.25N c(2×2) reconstruction surface is more stable than the Ga0.75Al0.25N (2×2) reconstruction surface.•The absorption coefficients of the surfaces are smaller than that of the bulk.

To research the electronic structure and optical properties of Ga0.75Al0.25N (001) (2×2) and c(2×2) reconstruction surfaces, two reconstruction surface models are built. The band structure, density of states, work function, surface energy, and optical properties of the two reconstruction surfaces are calculated based on first principles. Results show that c(2×2) reconstruction surface is more stable than (2×2) reconstruction surface. The work functions of the two reconstruction surfaces are 3.084eV and 3.431eV, respectively. The band gaps of the surfaces become small...

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•We employ first principle to calculate two types of Ga0.75Al0.25N (001) reconstruction surfaces.•The work function values of (2×2) and c(2×2) reconstruction surfaces are 3.084eV and 3.431eV, respectively.•The Ga0.75Al0.25N c(2×2) reconstruction surface is more stable than the Ga0.75Al0.25N (2×2) reconstruction surface.•The absorption coefficients of the surfaces are smaller than that of the bulk.

To research the electronic structure and optical properties of Ga0.75Al0.25N (001) (2×2) and c(2×2) reconstruction surfaces, two reconstruction surface models are built. The band structure, density of states, work function, surface energy, and optical properties of the two reconstruction surfaces are calculated based on first principles. Results show that c(2×2) reconstruction surface is more stable than (2×2) reconstruction surface. The work functions of the two reconstruction surfaces are 3.084eV and 3.431eV, respectively. The band gaps of the surfaces become small...

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date2013-12-15