scholarly journals First-principles study of the anisotropic thermal expansion and thermal transport properties in h-BN

2020 ◽  
Vol 64 (4) ◽  
pp. 953-963
Author(s):  
Bo Niu ◽  
Lixiang Zhong ◽  
Wei Hao ◽  
Zhihua Yang ◽  
Xiaoming Duan ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Transport Properties ◽  
First Principles ◽  
Thermal Transport ◽  
Anisotropic Thermal Expansion ◽  
First Principles Study ◽  
Thermal Transport Properties

Electronic, elastic, optical and thermal transport properties of penta-PdAs2 monolayer: First-principles study

2020 ◽  
Vol 307 ◽  
pp. 113802 ◽  
Author(s):  
Xiao-Long Pan ◽  
Ying-Qin Zhao ◽  
Zhao-Yi Zeng ◽  
Xiang-Rong Chen ◽  
Qi-Feng Chen
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Thermal Transport ◽  
First Principles Study ◽  
Thermal Transport Properties

Thermal transport properties of semimetal scandium antimonide: a first-principles study

2021 ◽  
Vol 127 (7) ◽  
Author(s):  
Fei-Yang Xu ◽  
Wang-Li Tao ◽  
Cui-E Hu ◽  
Yan Cheng ◽  
Hua-Yun Geng
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Thermal Transport ◽  
First Principles Study ◽  
Thermal Transport Properties

First-principles study of thermal transport properties in the two- and three-dimensional forms of Bi2O2Se

2019 ◽  
Vol 21 (21) ◽  
pp. 10931-10938 ◽  
Author(s):  
Xue-Liang Zhu ◽  
Peng-Fei Liu ◽  
Guofeng Xie ◽  
Bao-Tian Wang
Keyword(s):  
Thermal Conductivity ◽  
Transport Properties ◽  
First Principles ◽  
Thermal Transport ◽  
Lattice Thermal Conductivity ◽  
Three Dimensional ◽  
First Principles Study ◽  
Thermal Transport Properties

The intralayer opposite phonon vibrations in the monolayer Bi2O2Se greatly suppress the thermal transport and lead to lower lattice thermal conductivity than its bilayer and bulk forms.

First-principles calculations of interfacial thermal transport properties between SiC/Si substrates and compounds of boron with selected group V elements

2019 ◽  
Vol 21 (11) ◽  
pp. 6011-6020 ◽  
Author(s):  
Zhehao Sun ◽  
Kunpeng Yuan ◽  
Xiaoliang Zhang ◽  
Dawei Tang
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Thermal Transport ◽  
First Principles Calculations ◽  
Group V ◽  
Si Substrates ◽  
Thermal Transport Properties

This study explores the phonon-level mechanisms for interfacial thermal transport, especially systematically analyzing the effect of crystal information at interfaces.

Pressure tuning of the thermal conductivity of gallium arsenide from first-principles calculations

2018 ◽  
Vol 20 (48) ◽  
pp. 30331-30339 ◽  
Author(s):  
Zhehao Sun ◽  
Kunpeng Yuan ◽  
Xiaoliang Zhang ◽  
Dawei Tang
Keyword(s):  
Thermal Conductivity ◽  
Gallium Arsenide ◽  
Transport Properties ◽  
First Principles ◽  
Thermal Transport ◽  
First Principles Calculations ◽  
Pressure Tuning ◽  
Thermal Transport Properties

Pressure tuning of the thermal transport properties of gallium arsenide.

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