2024 : 11 : 22
Somayeh Behzad

Somayeh Behzad

Academic rank: Associate Professor
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Education: PhD.
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Faculty: Basic and Applied Sciences
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Research

Title
Strategies to optimize the intricate thermoelectric properties of 2D tetragonal silicene for energy harvesting: a computational modeling approach
Type
JournalPaper
Keywords
Tetragonal silicene · Carrier concentration · Electrical conductivity · Thermoelectric properties
Year
2024
Journal APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
DOI
Researchers Somayeh Behzad

Abstract

This study computationally investigates the thermoelectric properties of two-dimensional tetragonal Silicene (T-Si) using a tight binding model. The effects of external factors such as bias voltage, magnetic field, and chemical potential on the thermoelectric performance are analyzed through transport coefficients calculated using the Kubo formula and Green’s function method. The intrinsic gapless T-Si exhibits tunable electronic structure and thermoelectric properties under these external fields. The results demonstrate that the bias voltage reduces thermoelectric performance due to opening a band gap, while the magnetic field and chemical doping enhance it based on the increasing carrier concentration. The specific heat exhibits a Schottky anomaly peak which its position and intensity modulated by the external fields. Electrical conductivity displays pronounced tuning across temperature ranges under the influence of the fields. The positions, intensities, and magnitudes of power factor, figure of merit, and Seebeck coefficient peaks are sensitively dependent on external parameters. The findings indicate that optimizing the electronic and thermal properties of T-Si using external controlled parameters provides pathways for enhancing the thermoelectric efficiency for thermal energy harvesting applications.