000050025 001__ 50025
000050025 005__ 20180211163726.0
000050025 0247_ $$2DOI$$a10.1038/nmat1539
000050025 0247_ $$2WOS$$aWOS:000234379000017
000050025 037__ $$aPreJuSER-50025
000050025 041__ $$aeng
000050025 082__ $$a610
000050025 084__ $$2WoS$$aChemistry, Physical
000050025 084__ $$2WoS$$aMaterials Science, Multidisciplinary
000050025 084__ $$2WoS$$aPhysics, Applied
000050025 084__ $$2WoS$$aPhysics, Condensed Matter
000050025 1001_ $$0P:(DE-HGF)0$$aWelnic, W.$$b0
000050025 245__ $$aUnravelling the interplay of local structure and physical properties in phase-change materials
000050025 260__ $$aBasingstoke$$bNature Publishing Group$$c2006
000050025 300__ $$a56
000050025 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000050025 3367_ $$2DataCite$$aOutput Types/Journal article
000050025 3367_ $$00$$2EndNote$$aJournal Article
000050025 3367_ $$2BibTeX$$aARTICLE
000050025 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000050025 3367_ $$2DRIVER$$aarticle
000050025 440_0 $$011903$$aNature Materials$$v5$$x1476-1122
000050025 500__ $$aRecord converted from VDB: 12.11.2012
000050025 520__ $$aAs the chemical bonds in a covalent semiconductor are independent of long-range order, semiconductors generally have similar local arrangements not only in the crystalline, but also in the amorphous phase. In contrast, the compound Ge2Sb2Te5, which is a prototype phase-change material used in optical and electronic data storage, has been shown to undergo a profound change in local order on amorphization. In this work, ab initio ground state calculations are used to unravel the origin of the local order in the crystalline cubic and the amorphous phase of GeSbTe alloys and the resulting physical properties. Our study shows that this class of materials is characterized by two competing structures with similar energy but different local order and different physical properties. We explain both the local distortions found in the crystalline phase and the occurrence of octahedral and tetrahedral coordination in the amorphous state. Although the atomic rearrangement is most pronounced for the Ge atoms, the strongest change of the electronic states affects the Te states close to the Fermi energy, resulting in a pronounced change of electronic properties such as an increased energy gap.
000050025 536__ $$0G:(DE-Juel1)FUEK414$$2G:(DE-HGF)$$aKondensierte Materie$$cP54$$x0
000050025 588__ $$aDataset connected to Web of Science
000050025 650_7 $$2WoSType$$aJ
000050025 7001_ $$0P:(DE-HGF)0$$aPamungkas, A.$$b1
000050025 7001_ $$0P:(DE-HGF)0$$aDetemple, R.$$b2
000050025 7001_ $$0P:(DE-HGF)0$$aSteimer, Ch.$$b3
000050025 7001_ $$0P:(DE-Juel1)130548$$aBlügel, S.$$b4$$uFZJ
000050025 7001_ $$0P:(DE-HGF)0$$aWuttig, M.$$b5
000050025 773__ $$0PERI:(DE-600)2088679-2$$a10.1038/nmat1539$$gVol. 5, p. 56$$p56$$q5<56$$tNature materials$$v5$$x1476-1122$$y2006
000050025 8567_ $$uhttp://dx.doi.org/10.1038/nmat1539
000050025 909CO $$ooai:juser.fz-juelich.de:50025$$pVDB
000050025 9131_ $$0G:(DE-Juel1)FUEK414$$bMaterie$$kP54$$lKondensierte Materie$$vKondensierte Materie$$x0$$zentfällt   bis 2009
000050025 9141_ $$y2006
000050025 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed
000050025 9201_ $$0I:(DE-Juel1)VDB30$$d31.12.2006$$gIFF$$kIFF-TH-I$$lTheorie I$$x0
000050025 9201_ $$0I:(DE-Juel1)VDB1045$$gJARA$$kJARA-SIM$$lJülich-Aachen Research Alliance - Simulation Sciences$$x1
000050025 970__ $$aVDB:(DE-Juel1)78221
000050025 980__ $$aVDB
000050025 980__ $$aConvertedRecord
000050025 980__ $$ajournal
000050025 980__ $$aI:(DE-Juel1)PGI-1-20110106
000050025 980__ $$aI:(DE-Juel1)VDB1045
000050025 980__ $$aUNRESTRICTED
000050025 981__ $$aI:(DE-Juel1)PGI-1-20110106
000050025 981__ $$aI:(DE-Juel1)VDB1045