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Remarkable Thermal Contraction in Small Size Single-Walled Boron Nanotubes

Published online by Cambridge University Press:  03 June 2015

Xianhu Zha ,
Shuang Li ,
Ruiqin Zhang  and
Zijing Lin
Xianhu Zha
Affiliation:
Department of Physics & Collaborative Innovation Center of Suzhou Nano Science and Technology, University of Science and Technology of China, Hefei 230026, China Department of Physics and Materials Science, City University of Hong Kong, Kowloon Tong, Hong Kong USTC-CityU Joint Advanced Research Centre, Suzhou 215123, China
Shuang Li
Affiliation:
Nano Structured Materials Center, Nanjing University of Science and Technology, Nanjing 210094, China
Ruiqin Zhang*
Affiliation:
Department of Physics and Materials Science, City University of Hong Kong, Kowloon Tong, Hong Kong
Zijing Lin*
Affiliation:
Department of Physics & Collaborative Innovation Center of Suzhou Nano Science and Technology, University of Science and Technology of China, Hefei 230026, China
*
Corresponding author.Email:[email protected]
Email:[email protected]
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Abstract

Density functional theory combined with the Grüneisen approximation is used to calculate the thermal properties of single-walled boron nanotubes (BNTs). The specific heat and thermal expansion are investigated. The thermal expansion coefficient of the BNT is found to be significantly correlated with tube size and chirality. A remarkable thermal contraction is found at small tube diameters. These results indicate that BNTs would have potential applications in sensors, actuators, and memory materials.

Keywords

80A1782-0465.40.Ba65.40.De65.80.-gDensity functional theoryGrüneisen approximationsingle-walled boron nanotubesremarkable thermal contraction.
Type
Research Article
Information
Communications in Computational Physics , Volume 16 , Issue 1 , July 2014 , pp. 201 - 212
Copyright
Copyright © Global Science Press Limited 2014

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