Origin of the reverse optical-contrast change of Ga-Sb phase-change materials—An ab initio molecular-dynamics study

A large number of phase-change materials (PCMs) have been developed experimentally; however, only Ge2Sb2Te5-based PCMs have been significantly explored using ab initio molecular-dynamics (AIMD) simulations. We present an AIMD study of the full melt/quench/anneal PC cycle for Ga-Sb materials, namely,...

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Bibliographic Details
Published in:Applied physics letters 2014-04, Vol.104 (14), p.141905
Main Authors: Dixon, J. A., Elliott, S. R.
Format: Article
Language:English
Subjects:
AMORPHOUS STATE
Applied physics
Crystal structure
Crystallinity
CRYSTALLIZATION
Eutectic alloys
Eutectic composition
GALLIUM ANTIMONIDES
MATERIALS SCIENCE
Molecular dynamics
MOLECULAR DYNAMICS METHOD
Optoelectronics
PHASE CHANGE MATERIALS
REFLECTIVITY
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Summary:A large number of phase-change materials (PCMs) have been developed experimentally; however, only Ge2Sb2Te5-based PCMs have been significantly explored using ab initio molecular-dynamics (AIMD) simulations. We present an AIMD study of the full melt/quench/anneal PC cycle for Ga-Sb materials, namely, the stoichiometric composition, GaSb, and the near-eutectic alloy, Ga16Sb84. The calculated electronic densities of states and optical reflectivities are compared between the amorphous and crystalline phases for both compositions, and it is shown that the contrasting opto-electronic properties of each crystalline material can be attributed to different structural transformations of Ga and Sb on crystallization from the amorphous state.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.4870810