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Title: Atomistic Study of the Melting Behavior of Single Crystalline Wurtzite Gallium Nitride Nanowires

Abstract

Molecular dynamics (MD) simulation was used to study the melting behavior of GaN nanowires with Stillinger-Webber (SW) potential. Our results reveal that the melting of nanowires starts from the surface, and rapidly extends to the inner regions of nanowires as temperature increases. The melting temperature of GaN nanowires is lower than that of the bulk GaN, which may associate with large surfaces of nanowires. The melting temperatures increase to saturation values ~3100K and ~2900K when the diameters of nanowires are larger than 3.14 and 4.14 nm for nanowires with [100]- and [110]-oriented lateral facets, respectively.

Authors:
; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE
OSTI Identifier:
901179
Report Number(s):
PNNL-SA-51826
Journal ID: ISSN 0884-2914; JMREEE; 8208; KC0201020; TRN: US200713%%82
DOE Contract Number:
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Materials Research, 22(3):742-747; Journal Volume: 22; Journal Issue: 3
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; GALLIUM NITRIDES; MELTING; MONOCRYSTALS; QUANTUM WIRES; MOLECULAR DYNAMICS METHOD; Computer simulations; GaN; Nanowire; Melting temperature; Environmental Molecular Sciences Laboratory

Citation Formats

Wang, Zhiguo, Zu, Xiaotao, Gao, Fei, and Weber, William J. Atomistic Study of the Melting Behavior of Single Crystalline Wurtzite Gallium Nitride Nanowires. United States: N. p., 2007. Web. doi:10.1557/JMR.2007.0095.
Wang, Zhiguo, Zu, Xiaotao, Gao, Fei, & Weber, William J. Atomistic Study of the Melting Behavior of Single Crystalline Wurtzite Gallium Nitride Nanowires. United States. doi:10.1557/JMR.2007.0095.
Wang, Zhiguo, Zu, Xiaotao, Gao, Fei, and Weber, William J. Thu . "Atomistic Study of the Melting Behavior of Single Crystalline Wurtzite Gallium Nitride Nanowires". United States. doi:10.1557/JMR.2007.0095.
@article{osti_901179,
title = {Atomistic Study of the Melting Behavior of Single Crystalline Wurtzite Gallium Nitride Nanowires},
author = {Wang, Zhiguo and Zu, Xiaotao and Gao, Fei and Weber, William J.},
abstractNote = {Molecular dynamics (MD) simulation was used to study the melting behavior of GaN nanowires with Stillinger-Webber (SW) potential. Our results reveal that the melting of nanowires starts from the surface, and rapidly extends to the inner regions of nanowires as temperature increases. The melting temperature of GaN nanowires is lower than that of the bulk GaN, which may associate with large surfaces of nanowires. The melting temperatures increase to saturation values ~3100K and ~2900K when the diameters of nanowires are larger than 3.14 and 4.14 nm for nanowires with [100]- and [110]-oriented lateral facets, respectively.},
doi = {10.1557/JMR.2007.0095},
journal = {Journal of Materials Research, 22(3):742-747},
number = 3,
volume = 22,
place = {United States},
year = {Thu Mar 01 00:00:00 EST 2007},
month = {Thu Mar 01 00:00:00 EST 2007}
}
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