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Title: Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors

We examine how hole localization limits the effectiveness of substitutional acceptors in oxide and nitride semiconductors and explain why p-type doping of these materials has proven so difficult. Using hybrid density functional calculations, we find that anion-site substitutional impurities in AlN, GaN, InN, and ZnO lead to atomic-like states that localize on the impurity atom itself. Substitution with cation-site impurities, on the other hand, triggers the formation of polarons that become trapped on nearest-neighbor anions, generally leading to large ionization energies for these acceptors. Unlike shallow effective-mass acceptors, these two types of deep acceptors couple strongly with the lattice, significantly affecting the optical properties and severely limiting prospects for achieving p-type conductivity in these wide-band-gap materials.
Authors:
; ;  [1]
  1. Materials Department, University of California, Santa Barbara, California 93106-5050 (United States)
Publication Date:
OSTI Identifier:
22271095
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 1; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALUMINIUM NITRIDES; ANIONS; CATIONS; DENSITY FUNCTIONAL METHOD; EFFECTIVE MASS; ELECTRIC CONDUCTIVITY; GALLIUM NITRIDES; HOLES; INDIUM NITRIDES; OPTICAL PROPERTIES; POLARONS; P-TYPE CONDUCTORS; TRAPPING; ZINC OXIDES