Length dependence thermal conductivity of zinc selenide (ZnSe) and zinc telluride (ZnTe) – a combined first principles and frequency domain thermoreflectance (FDTR) study

Literature Information

Publication Date 2022-11-01
DOI 10.1039/D2CP03612F
Impact Factor 3.676
Authors

Rajmohan Muthaiah, Roshan Sameer Annam, Fatema Tarannum, Ashish Kumar Gupta, Jivtesh Garg, Shamsul Arafin


View Original

Abstract

In this study, we report the length dependence of thermal conductivity (k) of zinc blende-structured Zinc Selenide (ZnSe) and Zinc Telluride (ZnTe) for length scales between 10 nm and 10 μm using first-principles computations, based on density-functional theory. The k value of ZnSe is computed to decrease significantly from 22.9 W m−1 K−1 to 1.8 W m−1 K−1 as the length scale is diminished from 10 μm to 10 nm. The k value of ZnTe is also observed to decrease from 12.6 W m−1 K−1 to 1.2 W m−1 K−1 for the same decrease in length. We also measured the k of bulk ZnSe and ZnTe using the Frequency Domain Thermoreflectance (FDTR) technique and observed a good agreement between the FDTR measurements and first principles calculations for bulk ZnSe and ZnTe. Understanding the thermal conductivity reduction at the nanometer length scale provides an avenue to incorporate nanostructured ZnSe and ZnTe for thermoelectric applications.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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