000005496 001__ 5496
000005496 005__ 20230426083011.0
000005496 0247_ $$2DOI$$a10.1103/PhysRevB.79.134118
000005496 0247_ $$2WOS$$aWOS:000265942800047
000005496 0247_ $$2Handle$$a2128/11036
000005496 037__ $$aPreJuSER-5496
000005496 041__ $$aeng
000005496 082__ $$a530
000005496 084__ $$2WoS$$aPhysics, Condensed Matter
000005496 1001_ $$0P:(DE-HGF)0$$aAkola, J.$$b0
000005496 245__ $$aStructure of amorphous Ge8Sb2Te11: GeTe-Sb2Te3 alloys and optical storage
000005496 260__ $$aCollege Park, Md.$$bAPS$$c2009
000005496 300__ $$a134118-1-8
000005496 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000005496 3367_ $$2DataCite$$aOutput Types/Journal article
000005496 3367_ $$00$$2EndNote$$aJournal Article
000005496 3367_ $$2BibTeX$$aARTICLE
000005496 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000005496 3367_ $$2DRIVER$$aarticle
000005496 440_0 $$04919$$aPhysical Review B$$v79$$x1098-0121$$y13
000005496 500__ $$aThe calculations were performed on IBM Blue Gene/P and p6 575 computers in the FZ Julich with grants from the FZJ and the John von Neumann Institute for Computing (NIC). We thank S. Kohara, K. Kobayashi, and Y. Tsuchiya for providing original data, and S. Kohara, T. Matsunaga, and N. Yamada for helpful discussions.
000005496 520__ $$aThe amorphous structure of Ge8Sb2Te11, an alloy used in the Blu-ray Disc, the de facto successor to digital versatile disk (DVD) optical storage, has been characterized by large-scale (630 atoms, 0.4 ns) density-functional/molecular-dynamics simulations using the new PBEsol approximation for the exchange-correlation energy functional. The geometry and electronic structure agree well with available x-ray diffraction data and photoelectron measurements. The total coordination numbers are Ge: 4.0, Sb: 3.7, and Te: 2.9, and the Ge-Ge partial coordination number is 0.7. Most atoms (particularly Sb) prefer octahedral coordination but 42% of Ge atoms are "tetrahedral." Structural details, including ring statistics, local coordination, and cavities (12% of total volume), are strikingly similar to those of Ge2Sb2Te5, which is used in DVD-random access memory. The presence of less than 10% Sb atoms leads to significant changes from GeTe.
000005496 536__ $$0G:(DE-Juel1)FUEK414$$2G:(DE-HGF)$$aKondensierte Materie$$cP54$$x0
000005496 542__ $$2Crossref$$i2009-04-27$$uhttp://link.aps.org/licenses/aps-default-license
000005496 588__ $$aDataset connected to Web of Science
000005496 65320 $$2Author$$aamorphous semiconductors
000005496 65320 $$2Author$$aantimony compounds
000005496 65320 $$2Author$$adensity functional theory
000005496 65320 $$2Author$$adigital versatile discs
000005496 65320 $$2Author$$aelectronic structure
000005496 65320 $$2Author$$agermanium compounds
000005496 65320 $$2Author$$amolecular dynamics method
000005496 650_7 $$2WoSType$$aJ
000005496 7001_ $$0P:(DE-Juel1)VDB60912$$aJones, R. O.$$b1$$uFZJ
000005496 77318 $$2Crossref$$3journal-article$$a10.1103/physrevb.79.134118$$bAmerican Physical Society (APS)$$d2009-04-27$$n13$$p134118$$tPhysical Review B$$v79$$x1098-0121$$y2009
000005496 773__ $$0PERI:(DE-600)2844160-6$$a10.1103/PhysRevB.79.134118$$gVol. 79, p. 134118-1-8$$n13$$p134118$$q79<134118-1-8$$tPhysical review / B$$v79$$x1098-0121$$y2009
000005496 8567_ $$uhttp://dx.doi.org/10.1103/PhysRevB.79.134118
000005496 8564_ $$uhttps://juser.fz-juelich.de/record/5496/files/PhysRevB.79.134118.pdf$$yOpenAccess
000005496 8564_ $$uhttps://juser.fz-juelich.de/record/5496/files/PhysRevB.79.134118.gif?subformat=icon$$xicon$$yOpenAccess
000005496 8564_ $$uhttps://juser.fz-juelich.de/record/5496/files/PhysRevB.79.134118.jpg?subformat=icon-180$$xicon-180$$yOpenAccess
000005496 8564_ $$uhttps://juser.fz-juelich.de/record/5496/files/PhysRevB.79.134118.jpg?subformat=icon-700$$xicon-700$$yOpenAccess
000005496 8564_ $$uhttps://juser.fz-juelich.de/record/5496/files/PhysRevB.79.134118.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000005496 909CO $$ooai:juser.fz-juelich.de:5496$$pdnbdelivery$$pVDB$$pdriver$$popen_access$$popenaire
000005496 9141_ $$y2009
000005496 915__ $$0LIC:(DE-HGF)APS-112012$$2HGFVOC$$aAmerican Physical Society Transfer of Copyright Agreement
000005496 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000005496 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed
000005496 9131_ $$0G:(DE-Juel1)FUEK414$$aDE-HGF$$bMaterie$$kP54$$lKondensierte Materie$$vKondensierte Materie$$x0$$zentfällt   bis 2009
000005496 9201_ $$0I:(DE-Juel1)VDB781$$d31.12.2010$$gIFF$$kIFF-1$$lQuanten-Theorie der Materialien$$x0
000005496 970__ $$aVDB:(DE-Juel1)113089
000005496 980__ $$aVDB
000005496 980__ $$aConvertedRecord
000005496 980__ $$ajournal
000005496 980__ $$aI:(DE-Juel1)PGI-1-20110106
000005496 980__ $$aUNRESTRICTED
000005496 9801_ $$aFullTexts
000005496 981__ $$aI:(DE-Juel1)PGI-1-20110106
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nmat2009
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nmat1627
000005496 999C5 $$1N. Yamada$$2Crossref$$9-- missing cx lookup --$$a10.1557/S0883769400036368$$p48 -$$tMat. Res. Soc. Bull.$$v21$$y1996
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.2901187
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1021/ic051677w
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.73.214202
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.78.224111
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1143/JJAP.30.101
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.65.115205
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/16/44/008
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nmat1215
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.2387870
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.96.255501
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.76.115124
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.76.235201
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/20/46/465103
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.2801626
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nmat2157
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.100.205502
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.43.3856
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.83.5042
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.1568081
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.75.174207
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.100.136406
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.77.3865
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.43.1993
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.463940
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0040-6090(02)00062-7
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.69.104111
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.98.236403
000005496 999C5 $$1V. M. Glazov$$2Crossref$$9-- missing cx lookup --$$a10.1007/978-1-4899-6451-9$$y1969
000005496 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.75.060201