NDLI: Effects of vacancy defects location on thermal conductivity of silicon nanowire: a molecular dynamics study

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The Journal of Engineering

Effects of vacancy defects location on thermal conductivity of silicon nanowire: a molecular dynamics study

Content Provider	IET Digital Library
Author	Meem, Asma Ul Hosna Chowdhury, Ongira Morshed, A K M M.
Abstract	The improvement of thermoelectric figure of merit of silicon nanowire (SiNW) can be achieved by lowering its thermal conductivity. In this work, non-equilibrium molecular dynamics method was used to demonstrate that the thermal conductivity of bulk silicon crystal is drastically reduced when it is crafted as SiNW and that it can be reduced remarkably by including vacancy defects. It has been found that ‘centre vacancy defect’ contributes much more in reducing the thermal conductance than ‘surface vacancy defect’. The lowest thermal conductivity that occurs is about 52.1% of that of pristine SiNW, when 2% vacancy defect is introduced in the nanowire. The vibrational density of states analysis was performed to understand the nature of this reduction and it has been found that the various boundary scatterings of phonon significantly reduce the thermal conductivity. Also, larger mass difference due to voids induces smaller thermal conductivity values. These results indicate that the inclusion of vacancy defects can enhance the thermoelectric performance of SiNWs.
Starting Page	1146
Ending Page	1150
Page Count	5
Volume Number	13
e-ISSN	17500443
Issue Number	Issue 8, Aug (2018)
Alternate Webpage(s)	https://digital-library.theiet.org/content/journals/mnl/13/8
Alternate Webpage(s)	https://digital-library.theiet.org/content/journals/10.1049/mnl.2017.0910
Journal	Micro & Nano Letters
Publisher Date	2018-08-01
Access Restriction	Open
Rights Holder	© The Institution of Engineering and Technology
Subject Keyword	Bulk Silicon Crystal Elemental Semiconductor Interstitials And Vacancies Molecular Dynamics Calculations And Other Numerical Simulations (condensed Matter Electronic Structure) Molecular Dynamics Method Nanowires Nonelectronic Thermal Conduction And Heat-pulse Propagation in Nonmetallic Solids Nonequilibrium Molecular Dynamics Method Phonon Boundary Scatterings Phonons Phonons And Vibrations in Crystal Lattices Phonons in Low-dimensional Structure And Small Particle Silicon Silicon Nanowire Surface Vacancy Defect Thermal Conductance Thermal Conductivity Thermoelectric Figure Vacancies (Crystal) Vacancy Defects Location Voids (solid)
Content Type	Text
Resource Type	Article

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