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Title: Thermoelectric properties of p-type cubic and rhombohedral GeTe

Abstract

Here, we investigate the electronic and thermoelectric properties of GeTe in both cubic and rhombohedral phases. We find that cubic GeTe has an electronic structure with a narrow band gap that is unfavorable at high temperature, where the cubic phase is normally stable. However, cubic GeTe has electronic features that may lead to p-type performance superior to the normal rhombohedral phase at lower temperature. This is explained in part by the combination of light and heavy band character that is very effective in obtaining high thermopower and conductivity. In addition, the valence band edge carrier pockets in cubic GeTe possess the largest anisotropy among cubic IV-VI analogs. These effects are stronger than the effect of band convergence in the rhombohedral structure. The results suggest further study of stabilized cubic GeTe as a thermoelectric.

Authors:
 [1];  [2];  [2]; ORCiD logo [3];  [3]; ORCiD logo [2]
  1. Jilin Univ., Changchun (China); Univ. of Missouri-Columbia, Columbia, MO (United States)
  2. Univ. of Missouri-Columbia, Columbia, MO (United States)
  3. Jilin Univ., Changchun (China)
Publication Date:
Research Org.:
Univ. of Missouri, Columbia, MO (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1439412
Alternate Identifier(s):
OSTI ID: 1438061
Grant/Contract Number:  
SC0001299
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 123; Journal Issue: 19; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Thermoelectrics

Citation Formats

Xing, Guangzong, Sun, Jifeng, Li, Yuwei, Fan, Xiaofeng, Zheng, Weitao, and Singh, David J. Thermoelectric properties of p-type cubic and rhombohedral GeTe. United States: N. p., 2018. Web. doi:10.1063/1.5025070.
Xing, Guangzong, Sun, Jifeng, Li, Yuwei, Fan, Xiaofeng, Zheng, Weitao, & Singh, David J. Thermoelectric properties of p-type cubic and rhombohedral GeTe. United States. doi:10.1063/1.5025070.
Xing, Guangzong, Sun, Jifeng, Li, Yuwei, Fan, Xiaofeng, Zheng, Weitao, and Singh, David J. Mon . "Thermoelectric properties of p-type cubic and rhombohedral GeTe". United States. doi:10.1063/1.5025070.
@article{osti_1439412,
title = {Thermoelectric properties of p-type cubic and rhombohedral GeTe},
author = {Xing, Guangzong and Sun, Jifeng and Li, Yuwei and Fan, Xiaofeng and Zheng, Weitao and Singh, David J.},
abstractNote = {Here, we investigate the electronic and thermoelectric properties of GeTe in both cubic and rhombohedral phases. We find that cubic GeTe has an electronic structure with a narrow band gap that is unfavorable at high temperature, where the cubic phase is normally stable. However, cubic GeTe has electronic features that may lead to p-type performance superior to the normal rhombohedral phase at lower temperature. This is explained in part by the combination of light and heavy band character that is very effective in obtaining high thermopower and conductivity. In addition, the valence band edge carrier pockets in cubic GeTe possess the largest anisotropy among cubic IV-VI analogs. These effects are stronger than the effect of band convergence in the rhombohedral structure. The results suggest further study of stabilized cubic GeTe as a thermoelectric.},
doi = {10.1063/1.5025070},
journal = {Journal of Applied Physics},
number = 19,
volume = 123,
place = {United States},
year = {Mon May 21 00:00:00 EDT 2018},
month = {Mon May 21 00:00:00 EDT 2018}
}

Journal Article:
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