Modeling of selenium telluride glass

John C. Mauro; Arun K. Varshneya

doi:10.1002/pssb.200510016

Modeling of selenium telluride glass

John C. Mauro, Arun K. Varshneya

Materials Science and Engineering

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

7 Scopus citations

Abstract

We develop model interaction potentials for the heterogeneous selenium-tollurium system based on ab initio molecular simulations and a cluster expansion technique. The model potentials are used in classical Monte Carlo simulations to characterize the structure of SeTe glass in the canonical ensemble. The simulated structure is in good qualitative agreement with available experimental data.

Original language	English (US)
Pages (from-to)	R46-R48
Journal	Physica Status Solidi (B) Basic Research
Volume	242
Issue number	6
DOIs	https://doi.org/10.1002/pssb.200510016
State	Published - May 2005

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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title = "Modeling of selenium telluride glass",

abstract = "We develop model interaction potentials for the heterogeneous selenium-tollurium system based on ab initio molecular simulations and a cluster expansion technique. The model potentials are used in classical Monte Carlo simulations to characterize the structure of SeTe glass in the canonical ensemble. The simulated structure is in good qualitative agreement with available experimental data.",

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year = "2005",

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AU - Varshneya, Arun K.

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AB - We develop model interaction potentials for the heterogeneous selenium-tollurium system based on ab initio molecular simulations and a cluster expansion technique. The model potentials are used in classical Monte Carlo simulations to characterize the structure of SeTe glass in the canonical ensemble. The simulated structure is in good qualitative agreement with available experimental data.

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DO - 10.1002/pssb.200510016

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AN - SCOPUS:18744401892

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SP - R46-R48

JO - Physica Status Solidi (B) Basic Research

JF - Physica Status Solidi (B) Basic Research

IS - 6

ER -

Modeling of selenium telluride glass

Abstract

All Science Journal Classification (ASJC) codes

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