Bölen, EmreDeligöz, EnginÖzışık, HacıÖzışık, Havva2023-12-192023-12-192018https://hdl.handle.net/20.500.12451/11350In this study, the structural, electronic and thermoelectric properties of belong to MAX phase, Mo2ScAlC2 are investigated by within the framework of the density-functional theory (DFT) using the plane-wave pseudopotential approach and Boltzmann transport theory as implemented within the MedeA-VASP package. We have computed the structural parameters and electronic band structure of Mo2ScAlC2. All results are in agreement with the available experimental data and other theoretical calculations. We also calculated Seebeck coefficient, electrical conductivity, and electronic thermal conductivity and discussed in detail.eninfo:eu-repo/semantics/openAccessMo2ScAlC2First PrinciplesConference Object139142