Title :
Molecular Dynamics study of thermal conductivity in bismuth telluride thin films
Author :
Chunjin Hang ; Shaopeng Sun ; Panpan Lin ; Chunqing Wang
Author_Institution :
State Key Lab. of Adv. Welding & Joining, Harbin Inst. of Technol., Harbin, China
Abstract :
Low-dimensional thermoelectric materials are believed to have higher energy transformation efficiency compared to bulk materials. In this work, the thermal conductivities in normal direction of bismuth telluride thin films have been studied using Non-equilibrium Molecular Dynamics (NEMD) with a two-body potential. We predict the thermal conductivity in films with a thickness range of 6-40nm at 100, 150, 200, 250 and 300 K. The results show that the thermal conductivities in normal direction in Bismuth Telluridethin films are much lower than those in bulk materials, and decrease with the increase of working temperature, and increase while the thickness of bismuth telluride thin film increases due to phonon scattering.
Keywords :
bismuth compounds; molecular dynamics method; thermal conductivity; thermoelectricity; thin films; BiTe; NEMD; bismuth telluride thin films; bulk materials; energy transformation; low-dimensional thermoelectric materials; nonequilibrium molecular dynamics; phonon scattering; size 6 nm to 40 nm; temperature 100 K; temperature 150 K; temperature 200 K; temperature 250 K; temperature 300 K; thermal conductivity; two-body potential; working temperature; Bismuth; Computational modeling; Conductivity; Heating; Materials; Tellurium; Thermal conductivity; bismuth telluride; molecular dynamics; thermal conductivity; thin film;
Conference_Titel :
Electronic Packaging Technology (ICEPT), 2013 14th International Conference on
Conference_Location :
Dalian
DOI :
10.1109/ICEPT.2013.6756502