Ab initio simulation of crystallization of amorphous Ge-Te-In system
a Department
of Physics, Thin Film Technology Lab, University of Chemical Technology and
Metallurgy, 8 Kl. Ohridski Blvd., 1756 Sofia, Bulgaria
b Departments of Physics, Faculty of Science and Technology, Airlangga University, Surabaya 60115, Indonesia
b Departments of Physics, Faculty of Science and Technology, Airlangga University, Surabaya 60115, Indonesia
Abstract
Phase change
materials are promising candidates for memory materials because their ability
to change between amorphous to crystalline state or vice versa with the
application of specific profile of heat. Due to fast transition between
crystalline and amorphous form, chalcogenide based on Ge-Te has been regarded
as potential candidate of phase change materials. Our investigation of
amorphous structures of GeTe4 with indium dopant have shown
that amorphous Ge-Te-In has a significant number of fourfold rings which are
responsible for the rapid crystal growth in crystal-amorphous transition. In
the present study, ab initio molecular dynamics were used to study
crystallization process of GeTe4 with indium dopant (5, 10, 15
and 20 at%). The structural changes in transition process were analyzed by
evaluation of ring statistics. Results from ab initio simulations show that
crystallization of samples with 80-100 atoms occur in hundreds of picoseconds.
© 2013 Bulgarian Academy of Sciences, Union of Chemists in Bulgaria.
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