Spin-gapless semiconducting characteristics and related band topology of quaternary Heusler alloy CoFeMnSn

Abstract

In this paper, we report the theoretical investigation and experimental realization of a new spin-gapless semiconductor (SGSs) compound CoFeMnSn belonging to the family of quaternary Heusler alloys. Through the use of several ground-state energy calculations, the most stable structure has been identified. Calculations of the spin-polarized band structure in the optimized structure's reveals the SGS nature of the compound. The compound form in an ordered crystal structure and exhibit a high ferromagnetic transition temperature (T_C = 560 K), making the material excellent for room temperature applications. Adherence of saturation magnetization to the Slater–Pauling rule, together with the nearly temperature-independent resistivity, conductivity, and carrier concentration of the compound in the temperature regime 5–300 K along with the low value of anomalous Hall conductivity (AHC) further confirms the SGS nature. Theoretical calculations also reveal the robustness of the SGS state due to lattice contraction and one can obtain a high value of intrinsic AHC using hole doping. Combined SGS and topological properties of the compound make CoFeMnSn suitable for spintronics and magneto-electronics devices.