Cairo University

MTPR Journal

 

A FIRST-PRINCIPLES CALCULATION OF THE MAGNETIC MOMENT AND ELECTRONIC STRUCTURE FOR SELECTED HALF-HEUSLER ALLOYS

& doi: https://doi.org/10.1142/9789814317511_0005
SAMY H. ALY, RIHAM SHAPARA and SHERIF YEHIA
Physics department, Faculty of Science, Faculty of Science at Damietta, Mansoura University, Damietta, Egypt
Physics department, Faculty of Science, Faculty of Science at Damietta, Mansoura University, Damietta, Egypt
Faculty of Science, Physics department Helwan University, Cairo, Egypt


Vol./Issue: 11 , id: 308

Half-Heusler alloys are half-metallic magnets which may be defined as a new state of matter between insulating and metallic materials. These materials have many important applications in spintronics or magnetoelectronics devices. We have done first-principles (ab-initio) calculation of the magnetic moment and electronic structure for selected half-Heusler compounds. All the calculations were performed using the DFT-based electronic structure packages FPLO and WIEN2K. Half-metallicity (e.g. NiMnSb and RhVSb), semiconducting (e.g. FeVSb and NiVAl) and fully-metallic (e.g. NiVTe) behavior have been found in the compounds studied.