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Title: Effect of intermixing at CdS/CdTe interface on defect properties

Abstract

We investigated the stability and electronic properties of defects in CdTe{sub 1−x}S{sub x} that can be formed at the CdS/CdTe interface. As the anions mix at the interface, the defect properties are significantly affected, especially those defects centered at cation sites like Cd vacancy, V{sub Cd}, and Te on Cd antisite, Te{sub Cd}, because the environment surrounding the defect sites can have different configurations. We show that at a given composition, the transition energy levels of V{sub Cd} and Te{sub Cd} become close to the valence band maximum when the defect has more S atoms in their local environment, thus improving the device performance. Such beneficial role is also found at the grain boundaries when the Te atom is replaced by S in the Te-Te wrong bonds, reducing the energy of the grain boundary level. On the other hand, the transition levels with respect to the valence band edge of CdTe{sub 1−x}S{sub x} increases with the S concentration as the valence band edge decreases with the S concentration, resulting in the reduced p-type doping efficiency.

Authors:
; ;  [1];  [2]
  1. National Renewable Energy Laboratory, Golden, Colorado 80401 (United States)
  2. Beijing Computational Science Research Center, Beijing 100094 (China)
Publication Date:
OSTI Identifier:
22594374
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 109; Journal Issue: 4; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ANIONS; CADMIUM SULFIDES; CADMIUM TELLURIDES; CATIONS; DEFECTS; GRAIN BOUNDARIES; INTERFACES; STABILITY; VACANCIES; VALENCE

Citation Formats

Park, Ji-Sang, E-mail: jspark@anl.gov, Yang, Ji-Hui, Barnes, Teresa, and Wei, Su-Huai, E-mail: suhuaiwei@csrc.ac.cn. Effect of intermixing at CdS/CdTe interface on defect properties. United States: N. p., 2016. Web. doi:10.1063/1.4959848.
Park, Ji-Sang, E-mail: jspark@anl.gov, Yang, Ji-Hui, Barnes, Teresa, & Wei, Su-Huai, E-mail: suhuaiwei@csrc.ac.cn. Effect of intermixing at CdS/CdTe interface on defect properties. United States. doi:10.1063/1.4959848.
Park, Ji-Sang, E-mail: jspark@anl.gov, Yang, Ji-Hui, Barnes, Teresa, and Wei, Su-Huai, E-mail: suhuaiwei@csrc.ac.cn. Mon . "Effect of intermixing at CdS/CdTe interface on defect properties". United States. doi:10.1063/1.4959848.
@article{osti_22594374,
title = {Effect of intermixing at CdS/CdTe interface on defect properties},
author = {Park, Ji-Sang, E-mail: jspark@anl.gov and Yang, Ji-Hui and Barnes, Teresa and Wei, Su-Huai, E-mail: suhuaiwei@csrc.ac.cn},
abstractNote = {We investigated the stability and electronic properties of defects in CdTe{sub 1−x}S{sub x} that can be formed at the CdS/CdTe interface. As the anions mix at the interface, the defect properties are significantly affected, especially those defects centered at cation sites like Cd vacancy, V{sub Cd}, and Te on Cd antisite, Te{sub Cd}, because the environment surrounding the defect sites can have different configurations. We show that at a given composition, the transition energy levels of V{sub Cd} and Te{sub Cd} become close to the valence band maximum when the defect has more S atoms in their local environment, thus improving the device performance. Such beneficial role is also found at the grain boundaries when the Te atom is replaced by S in the Te-Te wrong bonds, reducing the energy of the grain boundary level. On the other hand, the transition levels with respect to the valence band edge of CdTe{sub 1−x}S{sub x} increases with the S concentration as the valence band edge decreases with the S concentration, resulting in the reduced p-type doping efficiency.},
doi = {10.1063/1.4959848},
journal = {Applied Physics Letters},
number = 4,
volume = 109,
place = {United States},
year = {Mon Jul 25 00:00:00 EDT 2016},
month = {Mon Jul 25 00:00:00 EDT 2016}
}