First-Principles Calculation of the Electronic Structure, Magnetic Moment and Spin-Density for Selected Full-Heusler Alloys

   Full-Heusler alloys are half-metallic materials which may be defined as a new state   of  matter between the insulating and metallic states.  These materials have many important applications in spintronics or magnetoelectronic devices. 

We have done first-principles (ab- initio) calculation of the electronic structure, magnetic moment and spin density-maps for selected full-Heusler compounds. All the calculations were performed using the DFT-based electronic structure package WIEN2K