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Atomistic study of the melting behavior of single crystalline wurtzite gallium nitride nanowires

Published online by Cambridge University Press:  03 March 2011

Zhiguo Wang ,
Xiaotao Zu ,
Fei Gao  and
William J. Weber
Zhiguo Wang*
Affiliation:
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, People’s Republic of China; and Pacific Northwest National Laboratory, Richland, Washington 99352
Xiaotao Zu
Affiliation:
Department of Applied Physics, University of Electronic Science and Technology of China, Chengd, 610054, People’s Republic of China
Fei Gao
Affiliation:
Pacific Northwest National Laboratory, Richland, Washington 99352
William J. Weber
Affiliation:
Pacific Northwest National Laboratory, Richland, Washington 99352
*
a) Address all correspondence to this author. e-mail: zgwang_dr@yahoo.com
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Abstract

Molecular dynamic simulation was used to study the melting behavior of gallium nitride (GaN) nanowires with the Stillinger-Weber potential. Our results reveal that the melting of the nanowires starts from the surface and rapidly extends to the inner regions of nanowires as temperature increases. The melting temperatures increase to saturation values ∼3100 and ∼2900 K when the diameters of nanowires are larger than 3.14 and 4.14 nm for the nanowires with [100]- and [110]-oriented lateral facets, respectively. The saturated values are close to the melting temperature of bulk GaN. The low melting temperature of GaN nanowires with small diameter may be associated with the large surfaces of nanowires.

Keywords

III-VNanostructureSimulation
Type
Articles
Information
Journal of Materials Research , Volume 22 , Issue 3 , March 2007 , pp. 742 - 747
Copyright
Copyright © Materials Research Society 2007

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