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Molecular dynamics study of amorphous Ga-doped In2O3: A promising material for phase change memory devices
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
2013 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 103, no 7, 072113- p.Article in journal (Refereed) Published
Abstract [en]

In this paper, we employ the ab-initio molecular dynamics simulations, within the framework of density functional theory, to construct and characterize the amorphous structure of gallium-doped indium oxide. The electronic properties of amorphous and crystalline structures of Ga:In2O3 are investigated and compared by calculating the density of states, radial distribution function, bond angle distribution, and Bader charge analysis. We observe the band gap closure in amorphous structure, which corresponds to semiconductor to metallic transition in this material on amorphization. Our calculated results show the same characteristics of Ga:In2O3 with other phase change memory (PCM) materials available in literature and suggest it a promising candidate for PCM devices.

Place, publisher, year, edition, pages
2013. Vol. 103, no 7, 072113- p.
Keyword [en]
Ab-initio molecular dynamics, Amorphous structures, Bond-angle distribution, Crystalline structure, Gallium-doped indium oxides, Phase change memory (pcm), Radial distribution functions, Semiconductor-to-metallic transition
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URN: urn:nbn:se:kth:diva-129460DOI: 10.1063/1.4818788ISI: 000323769000044ScopusID: 2-s2.0-84882373116OAI: diva2:653402
Swedish Research Council

QC 20131004

Available from: 2013-10-04 Created: 2013-09-30 Last updated: 2013-10-04Bibliographically approved

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Ahuja, Rajeev
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