Equilibrium crystal shape of GaAs and InAs considering surface vibration and new (111)B reconstruction: ab-initio thermodynamics

Title
Equilibrium crystal shape of GaAs and InAs considering surface vibration and new (111)B reconstruction: ab-initio thermodynamics
Authors
최정혜박재홍여인원한규승황철성
Issue Date
2019-02
Publisher
Scientific Reports
Citation
VOL 9-1127-9
Abstract
This work reports on the theoretical equilibrium crystal shapes of GaAs and InAs as a function of temperature and pressure, taking into account the contribution of the surface vibration, using ab-initio thermodynamic calculations. For this purpose, new (111)B reconstructions, which are energetically stable at a high temperature, are suggested. It was found that there was a feasible correspondence between the calculated equilibrium shapes and the experimental shapes, which implied that the previous experimental growth was performed under conditions that were close to equilibrium. In this study, GaAs and InAs were selected as prototype compound semiconductors, but the developed calculation methodology can also be applied to other III– V compound semiconductor materials.
URI
http://pubs.kist.re.kr/handle/201004/69026
ISSN
2045-2322
Appears in Collections:
KIST Publication > Article
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