TY - JOUR

T1 - Prediction of the intrinsic thermal conductivity of phonons in dielectric and semiconductor materials based on the density of the lattice vibration energy

AU - Qunbo, Fan

AU - Feng, Zhang

AU - Fuchi, Wang

AU - Huiling, Zhang

PY - 2008/9

Y1 - 2008/9

N2 - A novel method is proposed to simulate the intrinsic thermal conductivity of the phonons in dielectric and semiconductor materials by introducing the concept of the density of the lattice vibration energy, which is a function of frequency and temperature. A quantitative relationship between the density of the lattice vibration energy and the mean free path of the phonons is established. The heat capacity and sound velocity can also be calculated by using the phonon density of states, the theoretical densities, and the elastic modulus. The thermal conductivities of some typical dielectric and semiconductor materials are then calculated, and it is found that the agreement with experimental data is good for some materials. In contrast to traditional semi-empirical methods, there is no need to input any experimental data.

AB - A novel method is proposed to simulate the intrinsic thermal conductivity of the phonons in dielectric and semiconductor materials by introducing the concept of the density of the lattice vibration energy, which is a function of frequency and temperature. A quantitative relationship between the density of the lattice vibration energy and the mean free path of the phonons is established. The heat capacity and sound velocity can also be calculated by using the phonon density of states, the theoretical densities, and the elastic modulus. The thermal conductivities of some typical dielectric and semiconductor materials are then calculated, and it is found that the agreement with experimental data is good for some materials. In contrast to traditional semi-empirical methods, there is no need to input any experimental data.

KW - Density of lattice vibration energy

KW - Mean free path of phonons

KW - Thermal conductivity of phonons

UR - http://www.scopus.com/inward/record.url?scp=56749180572&partnerID=8YFLogxK

U2 - 10.1080/08927020802101718

DO - 10.1080/08927020802101718

M3 - Article

AN - SCOPUS:56749180572

SN - 0892-7022

VL - 34

SP - 1129

EP - 1132

JO - Molecular Simulation

JF - Molecular Simulation

IS - 10-15

ER -