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PGI-1 Seminar: Ider Ronneberger

Computational Study of Crystallization Kinetics in Phase-Change Materials

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18 Nov 2015 11:30
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PGI Lecture Hall

RWTH-Aachen University

Abstract:

In this seminar, I would like to present some of the key results of my thesis, in which the crystallization properties of Phase-Change Materials (PCM) were investigated. The large optical and electronic contrast of PCM's between the amorphous and the crystalline, as well as the high stability of the amorphous phase at room temperature and the ultrafast crystallization of it at elevated temperatures, make them a highly promising candidate for future memory applications. The computational study of PCM's using First Principles methods became feasible in recent years, in particular the crystallization of PCM's by means of ab initio molecular dynamics (AIMD). In the present talk, I will present the results of the AIMD simulations of common PCM's, namely Ag4In3Sb67Te26 (AIST), Ge2Sb2Te5(GST), GeTe and doped Sb. The enhanced sampling method metadynamics (MTD) is employed both in order to accelerate the formation of crystal nuclei and to estimate the free energy barrier for nucleation.

Contact

Prof. Dr. Stefan Blügel
Phone: +49 2461 61-4249
Fax: +49 2461 61-2850
email: s.bluegel@fz-juelich.de