Banik Rati Ray, Ghosh Swarup, Chowdhury Joydeep
Department of Physics, Jadavpur University, 188, Raja S.C. Mallick Road, Kolkata 700032, India.
J Phys Condens Matter. 2024 Mar 28;36(25). doi: 10.1088/1361-648X/ad3538.
The present paper is primarily focused to understand the strain driven alterations in thermoelectric (TE) properties of two-dimensional SiH and GeH monolayers from first-principle calculations. Electronic band structures and the associated TE properties of the compounds under ambient and external strains have been critically unveiled in terms of Seebeck coefficients, electrical conductivities, power factors and electronic thermal conductivities. The phonon dispersion relations have also been investigated to estimate the lattice thermal conductivities of the systems. The TE figure of merits of SiH and GeH monolayers under ambient and external strains have been explored from the collective effects of their Seebeck coefficients, electrical conductivities, electronic and lattice thermal conductivities. The present study will be helpful in exploring the strain induced TE responses of SiH and GeH compounds which in turn may bear potential applications in clean and global energy conservation.
本文主要通过第一性原理计算来理解二维SiH和GeH单层的应变驱动热电（TE）特性变化。根据塞贝克系数、电导率、功率因数和电子热导率，严格揭示了化合物在环境应变和外部应变下的电子能带结构及相关TE特性。还研究了声子色散关系以估计系统的晶格热导率。从SiH和GeH单层的塞贝克系数、电导率、电子和晶格热导率的集体效应出发，探索了它们在环境应变和外部应变下的TE品质因数。本研究将有助于探索SiH和GeH化合物的应变诱导TE响应，这反过来可能在清洁和全球能源节约方面具有潜在应用。
