Title
Vibrations and thermal transport in nanocrystalline silicon
Abbreviated Journal Title
Phys. Rev. B
Keywords
YTTRIA-STABILIZED ZIRCONIA; MOLECULAR-DYNAMICS; GRAIN-BOUNDARIES; LOW; TEMPERATURES; CONDUCTIVITY; SOLIDS; SIMULATION; GLASSES; FILMS; RESISTANCE; Physics, Condensed Matter
Abstract
We use a combination of vibrational-mode analysis and molecular-dynamics simulations to study the effect of grain size on the nature of thermal vibrations, their localization, and their ability to carry heat in nanocrystalline silicon. Vibrational-mode analysis demonstrates that the vibrations that carry most of the heat in small-grain (less than or similar to 3 nm) structurally heterogeneous nanocrystalline silicon are almost identical in nature to those in homogeneous amorphous silicon, where the majority of the vibrations are delocalized and unpolarized. Consequently, the principal thermal conductivity mechanism in such a nanocrystalline material is the same as in the amorphous material. With increasing grain size, the vibrational modes become progressively more like that of a crystalline material; this is reflected in a crossover in the mechanism of thermal transport to that of a crystalline material.
Journal Title
Physical Review B
Volume
74
Issue/Number
24
Publication Date
1-1-2006
Document Type
Article
Language
English
First Page
11
WOS Identifier
ISSN
1098-0121
Recommended Citation
"Vibrations and thermal transport in nanocrystalline silicon" (2006). Faculty Bibliography 2000s. 5966.
https://stars.library.ucf.edu/facultybib2000/5966
Comments
Authors: contact us about adding a copy of your work at STARS@ucf.edu