Physical properties of vacancy-ordered double perovskites KTcZ (Z = Cl, Br) for spintronics applications: DFT calculations.

Vacancy-ordered double perovskites (DPs) are emerging materials for spintronics due to their stable structures and non-toxic properties. In this study, we conducted a comprehensive investigation into the role of 4d electrons in Tc to understand their impact on the ferromagnetic properties of KTcY (Y = Cl, Br). We have employed a modified Back and Johnson potential to assess electronic and magnetic characteristics and utilized the BoltzTraP code to investigate thermoelectric effects.