Ab initio shallow acceptor levels in gallium nitride

1996/10/07 by Vincenzo Fiorentini, Fabio Bernardini, Fiorentini, V. +5
Engineering · Physics and Astronomy · #Acoustic Wave Resonator Technologies #FOS: Physical sciences #GaN-based semiconductor devices and materials #Materials Science (cond-mat.mtrl-sci) #Metal and Thin Film Mechanics

paper · pdf · doi:10.48550/arxiv.cond-mat/9610045

openalex publication_date 1996/10/07 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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 ∼ 0.06 eV); Mg_Ga and Zn_Ga are mid-deep acceptors (0.23 eV and 0.33 eV respectively); Ca_Ga and Cd_Ga are deep acceptors (∼0.65 eV); Si_N is a midgap trap with high formation energy; finally, contrary to recent claims, C_N is a deep acceptor (0.65 eV). Interstitials and heteroantisites are energetically not competitive with substitutional incorporation.

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