A method to calculate thermal conductivity of a nonperiodic system, bamboo Si1−xGex nanowire with axially degraded components

Minggang Xia (), Jinyun Han, Zhaofang Cheng, Shengli Zhang and Baowen Li
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Minggang Xia: School of Science, Xi’an Jiaotong University
Jinyun Han: Laboratory of Nanostructure and Physics Properties, School of Science, Xi’an Jiaotong University
Zhaofang Cheng: Laboratory of Nanostructure and Physics Properties, School of Science, Xi’an Jiaotong University
Shengli Zhang: School of Science, Xi’an Jiaotong University
Baowen Li: NUS-Tongji Center for Phononics and Thermal Energy Science, Department of Physics, Tongji University

The European Physical Journal B: Condensed Matter and Complex Systems, 2017, vol. 90, issue 10, 1-8

Abstract: Abstract For a nonperiodic system, a bamboo Si1−x Ge 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 Si1−x Ge 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 Si1−x Ge 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.

Keywords: Mesoscopic; and; Nanoscale; Systems (search for similar items in EconPapers)
Date: 2017
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DOI: 10.1140/epjb/e2017-80211-8

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