• Jyoti
• Pooja Rani

Half-Heusler compounds have unusual behavior because of metallic as well as semi-metallic nature. These compounds have XYZ nomenclature where two of three atoms belong from transition metal atom and one from p-block. We have done first principle study of ScAgC by rearranging atomic position. The optimized lattice parameter of ScAgC is found to be 4.9Å. The numbers of K-points are 1000 with RMT value 2 under PBE parameterization. It has been observed that out of three structural arrangement only one show half-metallic natures. That can be used in semiconducting application.

Half-heusler, semiconductor, thermoelectric, solar cell, spin polarization.

"First Principle Study of ScAgC", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.6, Issue 4, page no.247-251, April-2019, Available :http://www.jetir.org/papers/JETIR1904036.pdf

"First Principle Study of ScAgC", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.6, Issue 4, page no. pp247-251, April-2019, Available at : http://www.jetir.org/papers/JETIR1904036.pdf