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Investigation on Ge5-x Sb (x) Te-5 phase-change materials by first-principles method
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2010 (English)In: Applied Physics A: Materials Science & Processing, ISSN 0947-8396, E-ISSN 1432-0630, Vol. 99, no 4, 961-964 p.Article in journal (Refereed) Published
Abstract [en]

The structure stability and chemical bonding of Ge5-x Sb (x) Te-5 (x=0,1,2) phase-change alloys were studied by ab initio calculations. By analyzing formation energies, density of states and electron localization function, we have shown that the chemical bonding character of Ge4Sb1Te5 is quite similar to that of GeTe and hence a NaCl crystalline state is expected. The introduction of extra electrons by Sb in Ge4Sb1Te5 and Ge3Sb2Te5 results in states at the Fermi Level. With increasing Sb contents as in Ge3Sb2Te5, the chemical bonding becomes rather inhomogeneous.

Place, publisher, year, edition, pages
2010. Vol. 99, no 4, 961-964 p.
National Category
Physical Sciences
URN: urn:nbn:se:uu:diva-136057DOI: 10.1007/s00339-010-5709-xISI: 000278519700042OAI: oai:DiVA.org:uu-136057DiVA: diva2:376123
Available from: 2010-12-10 Created: 2010-12-09 Last updated: 2012-03-05Bibliographically approved

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Ahuja, Rajeev
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Department of Physics and Astronomy
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