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Title: Ramifications of codoping SrI 2:Eu with isovalent and aliovalent impurities

Abstract

Eu 2+ doped SrI 2 is an important scintillator having applications in the field of radiation detection. Codoping techniques are often useful to improve the electronic response of such insulators. Using first-principles based approach, we report on the properties of SrI 2:Eu and the influence of codoping with aliovalent (Na, Cs) and isovalent (Mg, Ca, Ba, and Sn) impurities. These codopants do not preferably bind with Eu and are expected to remain as isolated impurities in the SrI 2 host. As isolated defects they display amphoteric behavior having, in most cases, significant ionization energies of the donor and acceptor levels. Furthermore, the acceptor states of Na, Cs, and Mg can bind with I-vacancy forming charge compensated donor-acceptor pairs. Such pairs may also bind additional holes or electrons similar to the isolated defects. Lack of deep-to-shallow behavior upon codoping and its ramifications will be discussed.

Authors:
 [1];  [1]
  1. Arkansas State Univ. Jonesboro, AR (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1497066
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 120; Journal Issue: 21; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Feng, Qingguo, and Biswas, Koushik. Ramifications of codoping SrI2:Eu with isovalent and aliovalent impurities. United States: N. p., 2016. Web. doi:10.1063/1.4971180.
Feng, Qingguo, & Biswas, Koushik. Ramifications of codoping SrI2:Eu with isovalent and aliovalent impurities. United States. doi:10.1063/1.4971180.
Feng, Qingguo, and Biswas, Koushik. Tue . "Ramifications of codoping SrI2:Eu with isovalent and aliovalent impurities". United States. doi:10.1063/1.4971180. https://www.osti.gov/servlets/purl/1497066.
@article{osti_1497066,
title = {Ramifications of codoping SrI2:Eu with isovalent and aliovalent impurities},
author = {Feng, Qingguo and Biswas, Koushik},
abstractNote = {Eu2+ doped SrI2 is an important scintillator having applications in the field of radiation detection. Codoping techniques are often useful to improve the electronic response of such insulators. Using first-principles based approach, we report on the properties of SrI2:Eu and the influence of codoping with aliovalent (Na, Cs) and isovalent (Mg, Ca, Ba, and Sn) impurities. These codopants do not preferably bind with Eu and are expected to remain as isolated impurities in the SrI2 host. As isolated defects they display amphoteric behavior having, in most cases, significant ionization energies of the donor and acceptor levels. Furthermore, the acceptor states of Na, Cs, and Mg can bind with I-vacancy forming charge compensated donor-acceptor pairs. Such pairs may also bind additional holes or electrons similar to the isolated defects. Lack of deep-to-shallow behavior upon codoping and its ramifications will be discussed.},
doi = {10.1063/1.4971180},
journal = {Journal of Applied Physics},
number = 21,
volume = 120,
place = {United States},
year = {2016},
month = {12}
}

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