Length Dependence thermal conductivity of Zinc-Selenide (ZnSe) and Zinc Telluride (ZnTe)- A combined first principles and Frequency Domain Thermoreflectance (FDTR) study
arXiv:2208.02429 · doi:10.1039/D2CP03612F
Abstract
In this study, we report the length dependence of thermal conductivity (k) of zinc-blende Zinc-Selenide (ZnSe) and Zinc Telluride (ZnTe) for length scales between 10 nm and 10000 nm using first-principles computations based on density-functional theory. k value of ZnSe is computed to decrease significantly from 11.3 W/mK to 1.75 W/mK as the length scale is diminished from 10 nm to 10 nm. k value of ZnTe is also observed to decrease from 10 W/mK to 1.2 W/mK for the same decrease in length. We also measure the k of bulk ZnSe and ZnTe using Frequency Domain Thermoreflectance (FDTR) technique and observed a good agreement between FDTR measurements and first principles calculations for the bulk ZnSe and ZnTe. Understanding of thermal conductivity reduction at nanometer length scales provides an avenue to incorporate nanostructured ZnSe and ZnTe for thermoelectric applications.
19 pages, 13 figures
References in corpus (3)
- First-principles calculations of phonon frequencies, lifetimes and spectral functions from weak to strong anharmonicity: the example of palladium hydrides
- Thermal conductivity of Magnesium Telluride (MgTe) -- A first principles study
- First principles investigation of high thermal conductivity in hexagonal boron phosphide