NDLI: Thermal Conductivity Suppression in Nanostructured Silicon and Germanium Nanowires

Content Provider	Springer Nature Link
Author	Özden, Ayberk Kandemir, Ali Ay, Feridun Perkgöz, Nihan Kosku Sevik, Cem
Copyright Year	2015
Abstract	The inherent low lattice thermal conductivity (TC) of semiconductor nanowires (s-NW) due to one-dimensional phonon confinement might provide a solution for the long-lasting figure-of-merit problem for highly efficient thermoelectric (TE) applications. Standalone diameter modulation or alloying of s-NW serve as a toolkit for TC control, but realizing the full potential of nanowires requires new atomic-scale designs, growth, characterization, and understanding of the physical mechanisms behind the structure–property (TC) relationship. Before undertaking time-consuming and expensive experimental work, molecular dynamics (MD) simulations serve as an excellent probe to investigate new designs and understand how nanostructures affect thermal transport properties through their capability to capture various phenomena such as phonon boundary scattering, phonon coherence resonance, and phonon backscattering. On the other hand, because different research groups use different structural and MD parameters in their simulations, it is rather difficult to make comparisons between different nanostructures and select appropriate ones for potential TE applications. Therefore, in this work, we systematically investigated pristine, core–shell (C–S), holey (H-N), superlattice (SL), sawtooth (ST), and superlattice sawtooth (SL-ST) nanowires with identical structural parameters. Specifically, we aim to compare the relative TC reduction achieved by these nanostructures with respect to pristine nanowires in order to propose the best structural design with the lowest lattice TC, using Green–Kubo method-based equilibrium molecular dynamics simulations at 300 K. Our results show that the TC can be minimized by changing specific parameters such as the core diameter and monolayer separation for C–S, H-N, and ST structures. In the case of SL structures, the TC is found to be independent of these parameters. However, surface roughness in the form of a ST morphology provides a TC value below 2 W/m-K, approaching the amorphous limit.
Starting Page	1594
Ending Page	1600
Page Count	7
File Format	PDF
ISSN	03615235
Journal	Journal of Electronic Materials
Volume Number	45
Issue Number	3
e-ISSN	1543186X
Language	English
Publisher	Springer US
Publisher Date	2015-10-19
Publisher Place	New York
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Nanowires equilibrium molecular dynamics thermal conductivity thermoelectricity Optical and Electronic Materials Characterization and Evaluation of Materials Electronics and Microelectronics, Instrumentation Solid State Physics
Content Type	Text
Resource Type	Article
Subject	Materials Chemistry Electronic, Optical and Magnetic Materials Condensed Matter Physics Electrical and Electronic Engineering

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1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
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4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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