Eur. Phys. J. B (2017) 90: 199
https://doi.org/10.1140/epjb/e2017-80211-8

Regular Article

A method to calculate thermal conductivity of a nonperiodic system, bamboo Si_1−xGe_x nanowire with axially degraded components

¹ Department of Optical Information Science and Technology, School of Science, Xi’an Jiaotong University, Xi’an 710049, P.R. China
² Laboratory of Nanostructure and Physics Properties, School of Science, Xi’an Jiaotong University, Xi’an 710049, P.R. China
³ Department of Applied Physics, School of Science, Xi’an Jiaotong University, Shaanxi 710049, P.R. China
⁴ NUS-Tongji Center for Phononics and Thermal Energy Science, Department of Physics, Tongji University, Shanghai 200092, P.R. China

^a e-mail: xiamg@mail.xjtu.edu.cn

Received: 11 April 2017
Received in final form: 21 May 2017
Published online: 18 October 2017

Abstract

For a nonperiodic system, a bamboo Si_1−xGe_x nanowire with axially degraded components, it is impossible to obtain its phonon dispersion relations through lattice dynamic or the first principle calculation. Therefore, we present a simple and available method to solve this problem. At first, the Si_1−xGe_x nanowire with axially degraded component is divided into several sections according to its component distribution like bamboos’ sections formed in the growth process. For each section with a given x value, we constructed a pseudo-cell to calculate its phonon dispersion relations. Thermal conductances of junctions and of each section are then calculated by the phonon mismatch model and the phonon transmission probability with diffusive and ballistic portions. The dependences of thermal conductivity on the length of each section and the gradient of degraded component between sections are presented. We studied thermal conductivity dependence on temperature, length and diameter of the Si_1−xGe_x nanowire with axially degraded component. And we found κ ~ l^0.8, in which the exponent 0.8 is ascribed to the competition between phonons ballistic and diffusive transport. Furthermore, thermal conductivities along axial (100), (110), and (111) directions are discussed in detail. The method provides a simple and available tool to study thermal conductivity of a non-period system, such as a quasiperiodic superlattice or a nanowire with axially degraded component.