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Author:

Rao, Xue (Rao, Xue.) | Wang, Ru-Zhi (Wang, Ru-Zhi.) (Scholars:王如志) | Cao, Juexian (Cao, Juexian.) | Yan, Hui (Yan, Hui.)

Indexed by:

Scopus SCIE

Abstract:

In this paper we investigate the atomic configurations, electronic structure and formation energies of native point defects, (such as vacancies and self-interstitials), in an AlN/GaN superlattice (SL) constructed on a wurtzite structure along a [0001] growth direction. Comprehensive first-principle calculations based on the density functional theory (DFT) are used. Cation and anion vacancies in the neutral charge state are calculated. For the native defects, the results showed that the most favorable configurations are the cation vacancies at the interface of the SL, or the anion vacancies in the GaN wells. Considering the formation energies of different vacancies, the results show that the nitrogen vacancy has the lowest formation energy, indicating that they are significantly the most stable configuration, and thus should be expected to be the major defect in a AlN/GaN superlattice.

Keyword:

First Principles Vacancy Superlattice Defects Formation Energy

Author Community:

  • [ 1 ] [Rao, Xue]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Wang, Ru-Zhi]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Yan, Hui]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Cao, Juexian]Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China
  • [ 5 ] [Cao, Juexian]Xiangtan Univ, Inst Nanophys & Rare Earth Luminescence, Xiangtan 411105, Peoples R China

Reprint Author's Address:

  • 王如志

    [Wang, Ru-Zhi]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

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Source :

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

ISSN: 1533-4880

Year: 2016

Issue: 1

Volume: 16

Page: 632-635

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:305

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 10

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