Electronic behavior of rare-earth dopants in AlN: A density-functional study

S. Petit, R. Jones, M.J. Shaw, P.R. Briddon, B. Hourahine, T. Frauenheim

Research output: Contribution to journalArticle

41 Citations (Scopus)

Abstract

Local density functional calculations are carried out on Er, Eu, and Tm rare-earth (RE) dopants in hexagonal AlN. We find that the isolated impurities prefer to substitute for Al and, in contrast with isolated RE dopants in GaAs and GaN, REAl defects are electrically active and introduce deep donor levels around Ev+0.5 eV. RE complexes with oxygen and vacancies are discussed; some of these have deep levels in the upper third of the gap and could account for a threshold excitation energy around 4 eV observed for intra-f transitions at 465 and 478 nm in AlN:Tm.
Original languageEnglish
Article number073205
Number of pages4
JournalPhysical Review B: Condensed Matter and Materials Physics
Volume72
Issue number2005
DOIs
Publication statusPublished - 11 Aug 2005

Keywords

  • local density functional calculations
  • rare-earth dopants
  • nanoscience

Fingerprint Dive into the research topics of 'Electronic behavior of rare-earth dopants in AlN: A density-functional study'. Together they form a unique fingerprint.

Cite this