Investigation of correlation of chemical structure and electronic band structure of Fe-Ga system

Fe-Ga phase diagram is studied in detail to investigate the correlation of chemical structure and electronic band structure. There were 6 different phases reported on this system only one of them studied in detail experimentally and theoretically. We investigated chemical structure and electronic band structure of all other phases. Electronic band structure revealed an interesting detail of Ga rich non-magnetic semiconducting phase transforms into a series of magnetic phases towards the Fe rich side. It also revealed that the physical properties of the materials are very sensitive to the stoichiometry and structural deviations of the phases. This study will provide the groundwork to further studies of this materials and also provide an interesting avenue to investigate verity of new materials with potentially interesting physical properties.