DFT study of Ru2FeZ(Z=Si,Ge,Sn) for opto-electronic response calculations.

The opto-electronic properties of Ru 2 FeZ (Z = Si , Ge , Sn) full Heusler alloys are explored by using first-principles calculations. The wien2k package with Full potential-linearized augmented plane wave (FP + LAPW) method is used and the exchange–correlation functional is dealt within the framework of Generalized Gradient Approximation amended by Perdew–Burke–Ernzerhof. Electronic band structure and density of states in both spin channels show the overlapping of some valence and conduction bands, which confirms their metallic nature. Optical properties over a wide range of incident photon energy revealed their effectiveness in photo sensors. [ABSTRACT FROM AUTHOR]