Bonding trends within ternary isocoordinate chalcogenide glasses Ge xAsySe1-x-y

George Opletal; Rong P. Wang; Salvy P. Russo

doi:10.1039/c3cp43364a

Bonding trends within ternary isocoordinate chalcogenide glasses Ge _xAs_ySe_1-x-y

George Opletal^*, Rong P. Wang, Salvy P. Russo

^*Corresponding author for this work

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

10 Citations (Scopus)

Abstract

A structural study is presented of ab initio molecular dynamics simulations of Ge-As-Se chalcogenide glasses performed at the same mean coordination number but differing stoichiometry ranging between Se rich and Se poor glasses. Starting configurations are generated via Reverse Monte Carlo (RMC) simulations of Extended X-ray Absorption Fine Structure (EXAFS) measurements of experimental samples. Structural analysis is presented illustrating the bonding trends found with changing stoichiometry.

Original language	English
Pages (from-to)	4582-4588
Number of pages	7
Journal	Physical Chemistry Chemical Physics
Volume	15
Issue number	13
DOIs	https://doi.org/10.1039/c3cp43364a
Publication status	Published - 7 Apr 2013

Access to Document

10.1039/c3cp43364a

Cite this

@article{39cde25db38c4098b95f04f106cf9ba4,

title = "Bonding trends within ternary isocoordinate chalcogenide glasses Ge xAsySe1-x-y",

abstract = "A structural study is presented of ab initio molecular dynamics simulations of Ge-As-Se chalcogenide glasses performed at the same mean coordination number but differing stoichiometry ranging between Se rich and Se poor glasses. Starting configurations are generated via Reverse Monte Carlo (RMC) simulations of Extended X-ray Absorption Fine Structure (EXAFS) measurements of experimental samples. Structural analysis is presented illustrating the bonding trends found with changing stoichiometry.",

author = "George Opletal and Wang, {Rong P.} and Russo, {Salvy P.}",

year = "2013",

month = apr,

day = "7",

doi = "10.1039/c3cp43364a",

language = "English",

volume = "15",

pages = "4582--4588",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

number = "13",

}

TY - JOUR

T1 - Bonding trends within ternary isocoordinate chalcogenide glasses Ge xAsySe1-x-y

AU - Opletal, George

AU - Wang, Rong P.

AU - Russo, Salvy P.

PY - 2013/4/7

Y1 - 2013/4/7

N2 - A structural study is presented of ab initio molecular dynamics simulations of Ge-As-Se chalcogenide glasses performed at the same mean coordination number but differing stoichiometry ranging between Se rich and Se poor glasses. Starting configurations are generated via Reverse Monte Carlo (RMC) simulations of Extended X-ray Absorption Fine Structure (EXAFS) measurements of experimental samples. Structural analysis is presented illustrating the bonding trends found with changing stoichiometry.

AB - A structural study is presented of ab initio molecular dynamics simulations of Ge-As-Se chalcogenide glasses performed at the same mean coordination number but differing stoichiometry ranging between Se rich and Se poor glasses. Starting configurations are generated via Reverse Monte Carlo (RMC) simulations of Extended X-ray Absorption Fine Structure (EXAFS) measurements of experimental samples. Structural analysis is presented illustrating the bonding trends found with changing stoichiometry.

UR - http://www.scopus.com/inward/record.url?scp=84874913235&partnerID=8YFLogxK

U2 - 10.1039/c3cp43364a

DO - 10.1039/c3cp43364a

M3 - Article

SN - 1463-9076

VL - 15

SP - 4582

EP - 4588

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 13

ER -

Bonding trends within ternary isocoordinate chalcogenide glasses Ge _xAs_ySe_1-x-y

Abstract

Access to Document

Other files and links

Fingerprint

Cite this