Abstract

Semiconductors are important for improving green technology by efficiently converting, storing, and transmitting renewable energy into electrical energy. A study was conducted to investigate the optoelectronic, thermodynamic, thermoelectric, and mechanical stability properties of RhTiP Half Heusler semiconductors using the FP-LAPW method in the WIEN2k. The structural parameters and SOEC's were determined using the GGA. The result showed that RhTiP is a non-magnetic material with confirmed mechanical stability. The strong anisotropy in RhTiP was reported. RhTiP is found to be an indirect-bandgap semiconductor with Eg = 1.027 eV within TB-mBJ. The maximum Seebeck coefficient obtained for RhTiP at room temperature is 1380 μV/K. The electronic figure of merit corresponds to unity at a chemical potential (μ) of 0.25 eV. Finally, the dependence of some thermodynamic parameters with temperature and pressure was estimated from QH Debye model. The study suggests that RhTiP shows promising applications in thermoelectric and optoelectronic fields.

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