TY - JOUR
T1 - Remarkable Thermal Contraction in Small Size Single-Walled Boron Nanotubes
AU - Xianhu Zha, Shuang Li, Ruiqin Zhang & Zijing Lin
JO - Communications in Computational Physics
VL - 1
SP - 201
EP - 212
PY - 2014
DA - 2014/07
SN - 16
DO - http://doi.org/10.4208/cicp.230913.201113a
UR - https://global-sci.org/intro/article_detail/cicp/7039.html
KW - 
AB - <p style="text-align: justify;">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.</p>