Grain boundaries in gallium arsenide nanocrystals under pressure: a parallel molecular-dynamics study

Sanjay Kodiyalam; Rajiv K. Kalia; Hideaki Kikuchi; Aiichiro Nakano; Fuyuki Shimojo; Priya Vashishta

doi:10.1103/PhysRevLett.86.55

Grain boundaries in gallium arsenide nanocrystals under pressure: a parallel molecular-dynamics study

Sanjay Kodiyalam
, Rajiv K. Kalia
, Hideaki Kikuchi
, Aiichiro Nakano
, Fuyuki Shimojo
, Priya Vashishta

Research output: Contribution to journal › Article › peer-review

63 Scopus citations

Abstract

Parallel molecular-dynamics study was performed focusing on structural transformation in GaAs nanocrystals under pressure. It was found that the transformation from the zinc blende phase to the rocksalt phase begins from the surface and proceeds inwards with increasing pressure. The transformed GaAs nanocrystals have grains of the rocksalt phase separated by grain boundaries.

Original language	English
Pages (from-to)	55-58
Number of pages	4
Journal	Physical Review Letters
Volume	86
Issue number	1
DOIs	https://doi.org/10.1103/PhysRevLett.86.55
State	Published - Jan 1 2001
Externally published	Yes

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title = "Grain boundaries in gallium arsenide nanocrystals under pressure: a parallel molecular-dynamics study",

abstract = "Parallel molecular-dynamics study was performed focusing on structural transformation in GaAs nanocrystals under pressure. It was found that the transformation from the zinc blende phase to the rocksalt phase begins from the surface and proceeds inwards with increasing pressure. The transformed GaAs nanocrystals have grains of the rocksalt phase separated by grain boundaries.",

author = "Sanjay Kodiyalam and Kalia, \{Rajiv K.\} and Hideaki Kikuchi and Aiichiro Nakano and Fuyuki Shimojo and Priya Vashishta",

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AU - Kodiyalam, Sanjay

AU - Kalia, Rajiv K.

AU - Kikuchi, Hideaki

AU - Nakano, Aiichiro

AU - Shimojo, Fuyuki

AU - Vashishta, Priya

PY - 2001/1/1

Y1 - 2001/1/1

N2 - Parallel molecular-dynamics study was performed focusing on structural transformation in GaAs nanocrystals under pressure. It was found that the transformation from the zinc blende phase to the rocksalt phase begins from the surface and proceeds inwards with increasing pressure. The transformed GaAs nanocrystals have grains of the rocksalt phase separated by grain boundaries.

AB - Parallel molecular-dynamics study was performed focusing on structural transformation in GaAs nanocrystals under pressure. It was found that the transformation from the zinc blende phase to the rocksalt phase begins from the surface and proceeds inwards with increasing pressure. The transformed GaAs nanocrystals have grains of the rocksalt phase separated by grain boundaries.

UR - https://www.scopus.com/pages/publications/0035127725

U2 - 10.1103/PhysRevLett.86.55

DO - 10.1103/PhysRevLett.86.55

M3 - Article

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VL - 86

SP - 55

EP - 58

JO - Physical Review Letters

JF - Physical Review Letters

IS - 1

ER -

Grain boundaries in gallium arsenide nanocrystals under pressure: a parallel molecular-dynamics study

Abstract

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