Electronic, Magnetic and Optical Properties of Ti2ScGe Full-Heusler Compound Using the Density Functional Theory

Using the density functional theory, the electronic, magnetic and optical properties of Ti2ScGe have been investigated. The first thing that should be examined is the stable structure for the full-Heusler compound, after the investigations, a structure named type a was considered in the ferromagnetic state. This compound is studied for the first time in this paper and in the investigated conditions, it was recognized as a ferromagnetic half-metallic with a half-metallic gap of 0.4 electron volts. This compound has several acceptable factors for its applicability in making spintronics devices. Such as, half-metallic properties, high Curie temperature around 1086 K, its stability in the ferromagnetic state, and following the Slater-Pauling rule. Also, the examination of the optical properties showed that the Ti2ScGe full-Heusler compound can be further studied as a wave absorber