First Principle Investigation on Co2TiSi Heulser Alloy.

We report band structural calculations on full Heusler alloy Co2TiSi by using Korringa–Kohn–Rostoker method. Optimized lattice parameter is estimated using Birch–Murnaghan isothermal equation of state. Half-metallic nature is confirmed by density of states at the Fermi level and this alloy is found to exhibit 100% spin polarized character in the vicinity of Fermi level. The calculated total magnetization of 1.98 µB/f.u. is in excellent agreement with Slater– Pauling rule and experimentally obtained values for L21 ordered Co2TiSi bulk alloy. [ABSTRACT FROM AUTHOR]