The Effect of Biaxial Strain on The Thermoelectric Properties of 2D SiBi

Muhammad Anshory; Muhammad Y. Hanna

doi:10.23960/jemit.296

Authors

Muhammad Anshory Department of Physics, Faculty of Science, Institut Teknologi Sumatera, Lampung Selatan, Indonesia, 35365
Muhammad Y. Hanna Research Center for Quantum Physics, National Research and Innovation Agency (BRIN), South Tangerang, Indonesia, 15314 https://orcid.org/0000-0003-1474-0723

DOI:

https://doi.org/10.23960/jemit.296

Keywords:

DFT, SiBi Monolayer, Strain, Thermoelectric

Abstract

This study investigates the electronic and thermoelectric properties of two-dimensional silicon bismuth (2D SiBi) using first-principles Density Functional Theory (DFT) calculations. The 2D SiBi monolayer is identified as a semiconductor with an indirect band gap of 0.67 eV. Solving the Boltzmann transport equation reveals outstanding thermoelectric performance, evidenced by high Seebeck coefficients of 1243.79 µV/K (p-type) and 1217.23 µV/K (n-type) at room temperature. Most significantly, the application of a modest -1% biaxial compressive strain induces a substantial enhancement in these values, elevating them to 1361.75 µV/K and 1371.85 µV/K for p-type and n-type carriers, respectively. These results demonstrate that mechanical strain is an effective strategy for tuning and optimizing the thermoelectric efficiency of 2D SiBi, positioning it as a highly promising material for next-generation thermoelectric devices.

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Author Biography

Muhammad Y. Hanna, Research Center for Quantum Physics, National Research and Innovation Agency (BRIN), South Tangerang, Indonesia, 15314

Research Center for Quantum Physics

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