English

Ab initio shallow acceptor levels in gallium nitride

Materials Science 2008-02-03 v1

Abstract

Impurity levels and formation energies of acceptors in wurtzite GaN are predicted ab initio. Be_Ga is found to be the shallow (thermal ionization energy \sim 0.06 eV); MgGaMg_{Ga} and ZnGaZn_{Ga} are mid-deep acceptors (0.23 eV and 0.33 eV respectively); CaGaCa_{Ga} and CdGaCd_{Ga} are deep acceptors (\sim0.65 eV); SiNSi_N is a midgap trap with high formation energy; finally, contrary to recent claims, CNC_N is a deep acceptor (0.65 eV). Interstitials and heteroantisites are energetically not competitive with substitutional incorporation.

Cite

@article{arxiv.cond-mat/9610045,
  title  = {Ab initio shallow acceptor levels in gallium nitride},
  author = {V. Fiorentini and F. Bernardini and A. Bosin and D. Vanderbilt},
  journal= {arXiv preprint arXiv:cond-mat/9610045},
  year   = {2008}
}

Comments

4 pages, to appear in "The Physics of Semiconductors"

R2 v1 2026-07-22T11:54:52.435Z