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

Lookup NU author(s): Dr Michael Shaw, Professor Patrick Briddon


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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+0.5eV. 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 4eV observed for intra-f transitions at 465 and 478nm in AlN:Tm. © 2005 The American Physical Society.

Publication metadata

Author(s): Petit S, Jones R, Shaw MJ, Briddon PR, Hourahine B, Frauenheim T

Publication type: Article

Publication status: Published

Journal: Physical Review B

Year: 2005

Volume: 72

Issue: 7

ISSN (print): 1098-0121

ISSN (electronic): 1550-235X

Publisher: American Physical Society


DOI: 10.1103/PhysRevB.72.073205

Notes: Article no. 073205 4 pages


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