Potential energy landscapes of elemental and heterogeneous chalcogen clusters

John C. Mauro; Roger J. Loucks; Jitendra Balakrishnan; Arun K. Varshneya

doi:10.1103/PhysRevA.73.023202

Potential energy landscapes of elemental and heterogeneous chalcogen clusters

John C. Mauro, Roger J. Loucks, Jitendra Balakrishnan, Arun K. Varshneya

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

11 Scopus citations

Abstract

We describe the potential energy landscapes of elemental S8, Se8, and Te8 clusters using disconnectivity graphs. Inherent structures include both ring and chain configurations, with rings especially dominant in Se8. We also map the potential energy landscapes of heterogeneous Sen (S,Te) 8-n clusters, which offer insights into the structure of heterogeneous chalcogen glasses.

Original language	English (US)
Article number	023202
Journal	Physical Review A - Atomic, Molecular, and Optical Physics
Volume	73
Issue number	2
DOIs	https://doi.org/10.1103/PhysRevA.73.023202
State	Published - Mar 3 2006

All Science Journal Classification (ASJC) codes

Atomic and Molecular Physics, and Optics

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10.1103/PhysRevA.73.023202

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abstract = "We describe the potential energy landscapes of elemental S8, Se8, and Te8 clusters using disconnectivity graphs. Inherent structures include both ring and chain configurations, with rings especially dominant in Se8. We also map the potential energy landscapes of heterogeneous Sen (S,Te) 8-n clusters, which offer insights into the structure of heterogeneous chalcogen glasses.",

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AB - We describe the potential energy landscapes of elemental S8, Se8, and Te8 clusters using disconnectivity graphs. Inherent structures include both ring and chain configurations, with rings especially dominant in Se8. We also map the potential energy landscapes of heterogeneous Sen (S,Te) 8-n clusters, which offer insights into the structure of heterogeneous chalcogen glasses.

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Potential energy landscapes of elemental and heterogeneous chalcogen clusters

Abstract

All Science Journal Classification (ASJC) codes

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