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Metals 2015, 5(1), 102-118; doi:10.3390/met5010102

The Effect of Indium Content on the Atomic Environment and Cluster Stability of GeSe4Inx=10,15 Glasses

School of Mining Engineering and Metallurgy, National Technical University of Athens, Zografou Campus, Athens 15780, Greece
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Academic Editor: Hugo F. Lopez
Received: 27 October 2014 / Accepted: 8 January 2015 / Published: 14 January 2015
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Abstract

The atomic environments of two chalcogenide glasses, with compositions GeSe4In10 and GeSe4In15, were studied via Reverse Monte Carlo and Density Functional Theory. Indium content demoted Ge–Se bonding in favor of Se-In while the contribution of Se–Se in the first coordination shell order was faint. Upon transition to the richer In glass, there was formation of rich Ge-centered clusters at radial distances further than 4 Å from the RMC box center, which was taken to signify a reduction of Ge–Se interactions. Cluster coordination by Se promoted stability while, very conclusively, In coordination lowered cluster stability by intervening in the Ge–Se and Se–Se networks. View Full-Text
Keywords: Ge–Se–In glass; solute-solvent interactions; electronic structure; density functional theory Ge–Se–In glass; solute-solvent interactions; electronic structure; density functional theory
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Antipas, G.S.E.; Mangiorou, E.; Hristoforou, E. The Effect of Indium Content on the Atomic Environment and Cluster Stability of GeSe4Inx=10,15 Glasses. Metals 2015, 5, 102-118.

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