Simulations of silver-doped germanium-selenide glasses and their response to radiation

Chalcogenide glasses doped with silver have many applications including their use as a novel radiation sensor. In this paper, we undertake the first atomistic simulation of radiation damage and healing in silver-doped Germanium-selenide glass. We jointly employ empirical potentials and ab initio met...

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Bibliographic Details
Published inNanoscale research letters Vol. 9; no. 1; p. 594
Main Authors Prasai, Kiran, Drabold, David A
Format Journal Article
LanguageEnglish
Published New York Springer New York 29.10.2014
Springer Nature B.V
BioMed Central Ltd
Springer
Subjects
Chemistry and Materials Science
EMN Meeting
Materials Science
Molecular Medicine
Nano Express
Nanochemistry
Nanoscale Science and Technology
Nanotechnology
Nanotechnology and Microengineering
Chalcogenide glass
Dosimeter
Radiation damage
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Summary:Chalcogenide glasses doped with silver have many applications including their use as a novel radiation sensor. In this paper, we undertake the first atomistic simulation of radiation damage and healing in silver-doped Germanium-selenide glass. We jointly employ empirical potentials and ab initio methods to create and characterize new structural models and to show that they are in accord with many experimental observations. Next, we simulate a thermal spike and track the evolution of the radiation damage and its eventual healing by application of a simulated annealing process. The silver network is strongly affected by the rearrangements, and its connectivity (and thus contribution to the electrical conductivity) change rapidly in time. The electronic structure of the material after annealing is essentially identical to that of the initial structure.
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ISSN:1931-7573
1556-276X
1556-276X
DOI:10.1186/1556-276X-9-594