SiH monolayer: A promising two-dimensional thermoelectric material

Stability and dynamics of structure, mechanical and thermoelectric properties of SiH monolayer have been reported in this work. After confirming the stability apprehensions, electronic structure calculations present the SiH as an indirect semiconducting monolayer with a bandgap of 2.19 eV. Calculations on elastic constant, deformation potential constant, effective mass, relaxation time, and mobility of charge carriers have been done to get the exact value of thermoelectric parameters. We analysed the variation of Seebeck coefficient, electrical conductivity and electronic thermal conductivity with respect to chemical potential at different temperatures and found that the high value of Seebeck coefficient and electrical conductivity along with low electronic thermal conductivity leads to a high value of Z(e)T. 2.185. SiH monolayer is being reported for the first time as a thermoelectric material and calculated thermoelectric properties show that SiH monolayer can be used efficiently in the field of thermoelectricity.

Automated summary

This work reports the stability and dynamics, mechanical and thermoelectric properties of SiH monolayer. It is found that SiH is an indirect semiconducting monolayer with a bandgap of 2.19 eV. Calculations on thermoelectric parameters confirm the potential thermoelectric performance of SiH monolayer. This study reveals the efficient application of SiH monolayer as a thermoelectric material for the first time.