Ab initio comparison of bonding environments and threshold behavior in Ge(x)As10Se(90-x) and Ge(x)Sb10Se(90-x) glass models

Opletal, George, Drumm, Daniel W., Petersen, Timothy C., Wang, Rong P. and Russo, Salvy P. 2015, Ab initio comparison of bonding environments and threshold behavior in Ge(x)As10Se(90-x) and Ge(x)Sb10Se(90-x) glass models, Journal of physical chemistry a, vol. 119, no. 24, pp. 6421-6427, doi: 10.1021/acs.jpca.5b00039.

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Title Ab initio comparison of bonding environments and threshold behavior in Ge(x)As10Se(90-x) and Ge(x)Sb10Se(90-x) glass models
Author(s) Opletal, George
Drumm, Daniel W.ORCID iD for Drumm, Daniel W. orcid.org/0000-0001-5663-1387
Petersen, Timothy C.
Wang, Rong P.
Russo, Salvy P.
Journal name Journal of physical chemistry a
Volume number 119
Issue number 24
Start page 6421
End page 6427
Total pages 7
Publisher American Chemical Society
Place of publication Washington, D.C.
Publication date 2015-06-18
ISSN 1089-5639
1520-5215
Keyword(s) Science & Technology
Physical Sciences
Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
REVERSE MONTE-CARLO
CHALCOGENIDE GLASSES
ORDER
PSEUDOPOTENTIALS
TRANSITIONS
TOPOLOGY
METALS
ENERGY
Language eng
DOI 10.1021/acs.jpca.5b00039
Field of Research 0307 Theoretical And Computational Chemistry
0202 Atomic, Molecular, Nuclear, Particle And Plasma Physics
0306 Physical Chemistry (Incl. Structural)
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©2015, American Chemical Society
Persistent URL http://hdl.handle.net/10536/DRO/DU:30110679

Document type: Journal Article
Collections: Faculty of Health
School of Medicine
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