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Title: Impurity-induced deep centers in Tl6SI4

Abstract

Tl6SI4 is a promising material for room-temperature semiconductor radiation detection applications. The history of the development of semiconductor radiation detection materials has demonstrated that impurities strongly affect the carrier transport and that material purification is a critically important step in improving the carrier transport and thereby the detector performance. Here, we report combined experimental and theoretical studies of impurities in Tl6SI4. Impurity concentrations in Tl6SI4 were analyzed by glow discharge mass spectrometry. Purification of the raw material by multi-pass vertical narrow zone refining was found to be effective in reducing the concentrations of most impurities. Density functional theory calculations were also performed to study the trapping levels introduced by the main impurities detected in experiments. We show that, among dozens of detected impurities, most are either electrically inactive or shallow. In the purified Tl6SI4 sample, only Bi has a significant concentration (0.2 ppm wt) and introduces deep electron trapping levels in the band gap. Lastly, improvement of the purification processes is expected to further reduce the impurity concentrations and their impact on carrier transport in Tl6SI4, leading to improved detector performance.

Authors:
 [1];  [2];  [2];  [3]; ORCiD logo [4]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Beihang Univ., Beijing (China)
  2. Northwestern Univ., Evanston, IL (United States)
  3. Nious Technologies, Wexford, PA (United States)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1351777
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 121; Journal Issue: 14; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Shi, Hongliang, Lin, Wenwen, Kanatzidis, Mercouri G., Szeles, Csaba, and Du, Mao -Hua. Impurity-induced deep centers in Tl6SI4. United States: N. p., 2017. Web. doi:10.1063/1.4980174.
Shi, Hongliang, Lin, Wenwen, Kanatzidis, Mercouri G., Szeles, Csaba, & Du, Mao -Hua. Impurity-induced deep centers in Tl6SI4. United States. doi:10.1063/1.4980174.
Shi, Hongliang, Lin, Wenwen, Kanatzidis, Mercouri G., Szeles, Csaba, and Du, Mao -Hua. Thu . "Impurity-induced deep centers in Tl6SI4". United States. doi:10.1063/1.4980174. https://www.osti.gov/servlets/purl/1351777.
@article{osti_1351777,
title = {Impurity-induced deep centers in Tl6SI4},
author = {Shi, Hongliang and Lin, Wenwen and Kanatzidis, Mercouri G. and Szeles, Csaba and Du, Mao -Hua},
abstractNote = {Tl6SI4 is a promising material for room-temperature semiconductor radiation detection applications. The history of the development of semiconductor radiation detection materials has demonstrated that impurities strongly affect the carrier transport and that material purification is a critically important step in improving the carrier transport and thereby the detector performance. Here, we report combined experimental and theoretical studies of impurities in Tl6SI4. Impurity concentrations in Tl6SI4 were analyzed by glow discharge mass spectrometry. Purification of the raw material by multi-pass vertical narrow zone refining was found to be effective in reducing the concentrations of most impurities. Density functional theory calculations were also performed to study the trapping levels introduced by the main impurities detected in experiments. We show that, among dozens of detected impurities, most are either electrically inactive or shallow. In the purified Tl6SI4 sample, only Bi has a significant concentration (0.2 ppm wt) and introduces deep electron trapping levels in the band gap. Lastly, improvement of the purification processes is expected to further reduce the impurity concentrations and their impact on carrier transport in Tl6SI4, leading to improved detector performance.},
doi = {10.1063/1.4980174},
journal = {Journal of Applied Physics},
number = 14,
volume = 121,
place = {United States},
year = {2017},
month = {4}
}

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    Physicochemical Aspects of Development of Multicomponent Chalcogenide Phases Having the Tl5Te3 Structure: A Review
    journal, December 2018

    • Imamaliyeva, S. Z.; Babanly, D. M.; Tagiev, D. B.
    • Russian Journal of Inorganic Chemistry, Vol. 63, Issue 13
    • DOI: 10.1134/s0036023618130041