Heusler alloys for Telecommunications and Embedded Systems: Application to CoFeYGe (Y = Cr, Ti)

In this work, we studied the physical properties of a new class of quaternary CoFeYGe Heusler alloys (Y = Cr, Ti) . To predict their various properties, we performed simulations using the Linearized Augmented Plane Waves with Local Orbitals (FP-LAPW) method, based on density functional theory (DFT). The calculations were performed using the Generalized Gradient Approximation (GGA) proposed by Perdew-Burke-Ernzerhof, as well as the Modified Becke-Johnson (mBJ) approximation for the exchange-correlation term. These methods are implemented in the WIEN2k code. In addition, the BoltzTraP code was used to evaluate the thermoelectric properties. The results pave the way for the use of these materials in the development of innovative spintronic and thermoelectric devices for embedded telecommunications systems.