Enhancing hole concentration in AlN by Mg:O codoping: Ab initio study

R. Q. Wu, L. Shen, M. Yang, Z. D. Sha, Y. Q. Cai, Y. P. Feng, Z. G. Huang, and Q. Y. Wu
Phys. Rev. B 77, 073203 – Published 15 February 2008

Abstract

Ab initio study based on density functional theory is performed to study the binding energies of Mg acceptors to single oxygen in AlN and the activation energies of the resultant MgnO complexes (n=2, 3, and 4). It is found that such complexes are energetically favored and have activation energies at least 0.23eV lower than that of single Mg. The lower activation energies originate from the extra states over the valence band top of AlN induced by the passive Mg-O. By comparing to the well-established case of GaN, it is possible to fabricate Mg:O codoped AlN without MgO precipitates. These results suggest the possibility of achieving higher hole concentration in AlN by Mg:O codoping.

  • Figure
  • Figure
  • Received 10 October 2007

DOI:https://doi.org/10.1103/PhysRevB.77.073203

©2008 American Physical Society

Authors & Affiliations

R. Q. Wu, L. Shen, M. Yang, Z. D. Sha, Y. Q. Cai, and Y. P. Feng*

  • Department of Physics, Faculty of Science, National University of Singapore, Singapore 117542, Singapore

Z. G. Huang and Q. Y. Wu

  • Department of Physics, Fujian Normal University, Fuzhou 350007, China

  • *phyfyp@nus.edu.sg

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Issue

Vol. 77, Iss. 7 — 15 February 2008

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