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Investigation of bonding within ab initio models of GeAsSe glasses

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dc.contributor.authorOpletal, G
dc.contributor.authorWang, Rongping
dc.contributor.authorRusso, Salvy P
dc.date.accessioned2015-12-13T22:29:01Z
dc.date.issued2013
dc.date.updated2016-02-24T09:22:01Z
dc.description.abstractA study is presented into the structural details of ab initio molecular dynamics simulations of GeAsSe chalcogenide glasses with ideal stoichiometry over a range of mean coordination numbers (MCN). The structural variability dependence upon initial starti
dc.identifier.issn0009-2614
dc.identifier.urihttp://hdl.handle.net/1885/74487
dc.publisherElsevier
dc.sourceChemical Physics Letters
dc.subjectKeywords: Ab initio models; Ab initio molecular dynamics simulation; Bonding environment; Chalcogenide glass; Mean coordination numbers; Structural details; Structural variability; Molecular dynamics; Stoichiometry; Glass
dc.titleInvestigation of bonding within ab initio models of GeAsSe glasses
dc.typeJournal article
local.bibliographicCitation.lastpage100
local.bibliographicCitation.startpage97
local.contributor.affiliationOpletal, G, RMIT University
local.contributor.affiliationWang, Rongping, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationRusso, Salvy P, RMIT University
local.contributor.authoruidWang, Rongping, u4219061
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor020500 - OPTICAL PHYSICS
local.identifier.absfor020400 - CONDENSED MATTER PHYSICS
local.identifier.absfor091200 - MATERIALS ENGINEERING
local.identifier.ariespublicationf5625xPUB4148
local.identifier.citationvolume575
local.identifier.doi10.1016/j.cplett.2013.05.025
local.identifier.scopusID2-s2.0-84878824130
local.identifier.thomsonID000320720500018
local.type.statusPublished Version

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