Ab initio study of mechanical and functional properties of novel CaZnC and CaZnSi half-Heusler materials

P. K. Kamlesh, U. K. Gupta, S. Verma +3

This research work introduces the DFT through FP-LAPW+lo technique in WIEN2k software to obtain information about structural, thermoelectric, and optoelectronic characteristics of…