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Title: Temperature dependence of the atomic structure and electrical activity of defects in ZnSb thermoelectric lightly doped with copper

Abstract

A model for describing the temperature dependence of the defect microstructure in high-efficiency ZnSb thermoelectric with a copper content of 0.1 at % is chosen. The temperature dependences of the chargecarrier density and mobility for thermal cycle I (300–700–300 K) are analyzed taking into account the features of the crystal structure and covalent chemical bond in ZnSb. The basic defect structure (at temperatures of T = 560–605 K) is the state when all Cu atoms are equally distributed between sites of both sublattices and behave as acceptors, and the number of intrinsic donor and acceptor defects is much smaller. The effect of the latter becomes noticeable when the temperature goes beyond the above-mentioned range. At T > 605 K, extra acceptors (antisite Zn{sub Sb}) occur; upon cooling below 560 K, Cu{sub 2} dimers arise and the electrical activity of the impurity lowers. Dimer decay upon heating leads to growth in the concentration with temperature up to saturation in the above-mentioned range. Additional thermal cycles II–VIII are performed; the observed changes in the temperature dependences of the hole concentration and mobility are discussed in the context of the investigated model.

Authors:
 [1];  [2]; ;  [1]
  1. Ioffe Institute (Russian Federation)
  2. Peter the Great St. Petersburg Polytechnical University (Russian Federation)
Publication Date:
OSTI Identifier:
22756389
Resource Type:
Journal Article
Journal Name:
Semiconductors
Additional Journal Information:
Journal Volume: 51; Journal Issue: 9; Other Information: Copyright (c) 2017 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7826
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ATOMS; CHEMICAL BONDS; COPPER; CRYSTAL GROWTH; CRYSTAL STRUCTURE; DEFECTS; DOPED MATERIALS; HOLE MOBILITY; LABELLING; MASS SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE; TEMPERATURE DEPENDENCE

Citation Formats

Prokofieva, L. V., E-mail: lprokofieva496@gmail.com, Nasredinov, F. S., Konstantinov, P. P., and Shabaldin, A. A. Temperature dependence of the atomic structure and electrical activity of defects in ZnSb thermoelectric lightly doped with copper. United States: N. p., 2017. Web. doi:10.1134/S1063782617090172.
Prokofieva, L. V., E-mail: lprokofieva496@gmail.com, Nasredinov, F. S., Konstantinov, P. P., & Shabaldin, A. A. Temperature dependence of the atomic structure and electrical activity of defects in ZnSb thermoelectric lightly doped with copper. United States. doi:10.1134/S1063782617090172.
Prokofieva, L. V., E-mail: lprokofieva496@gmail.com, Nasredinov, F. S., Konstantinov, P. P., and Shabaldin, A. A. Fri . "Temperature dependence of the atomic structure and electrical activity of defects in ZnSb thermoelectric lightly doped with copper". United States. doi:10.1134/S1063782617090172.
@article{osti_22756389,
title = {Temperature dependence of the atomic structure and electrical activity of defects in ZnSb thermoelectric lightly doped with copper},
author = {Prokofieva, L. V., E-mail: lprokofieva496@gmail.com and Nasredinov, F. S. and Konstantinov, P. P. and Shabaldin, A. A.},
abstractNote = {A model for describing the temperature dependence of the defect microstructure in high-efficiency ZnSb thermoelectric with a copper content of 0.1 at % is chosen. The temperature dependences of the chargecarrier density and mobility for thermal cycle I (300–700–300 K) are analyzed taking into account the features of the crystal structure and covalent chemical bond in ZnSb. The basic defect structure (at temperatures of T = 560–605 K) is the state when all Cu atoms are equally distributed between sites of both sublattices and behave as acceptors, and the number of intrinsic donor and acceptor defects is much smaller. The effect of the latter becomes noticeable when the temperature goes beyond the above-mentioned range. At T > 605 K, extra acceptors (antisite Zn{sub Sb}) occur; upon cooling below 560 K, Cu{sub 2} dimers arise and the electrical activity of the impurity lowers. Dimer decay upon heating leads to growth in the concentration with temperature up to saturation in the above-mentioned range. Additional thermal cycles II–VIII are performed; the observed changes in the temperature dependences of the hole concentration and mobility are discussed in the context of the investigated model.},
doi = {10.1134/S1063782617090172},
journal = {Semiconductors},
issn = {1063-7826},
number = 9,
volume = 51,
place = {United States},
year = {2017},
month = {9}
}