Cairo University

MTPR Journal

 

A FIRST-PRINCIPLES CALCULATION OF THE ELECTRONIC STRUCUTRE, MAGNETIC MOMENT AND SPIN-DENSITY FOR SELECTED FULL-HEUSLER ALLOYS

& doi: https://doi.org/10.1142/9789814317511_0006
SHERIF YEHIA, M. M. AHMED, M. HAMMAM, MONA A. AHMED and SAMY H. ALY
Physics Department, Helwan University, Faculty of science, Cairo, Helwan, Egypt
Physics Department, Helwan University, Faculty of science, Cairo, Helwan, Egypt
Physics Department, Helwan University, Faculty of science, Cairo, Helwan, Egypt
Physics Department, Helwan University, Faculty of science, Cairo, Helwan, Egypt
Physics Department, Damietta, Mansoura University, Faculty of science, Damietta, Egypt


Vol./Issue: 11 , id: 309

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. Half-metallicity (e.g. Co2Vga), nearly half metallic (e.g. Co2TiGa) and fully-metallic (e.g.Co2MnGa) behavior have been found in the compounds studied.