Electronic Band Structure Studies of Binary Iridates in Ir-Ga Phase Diagram

Binary iridates in Ir-Ga system is studied in detail by using the computational method. Correlation of chemical structure and electronic band structure of Ir-Ga are investigated in detail. There were several different phases reported on this systems but none of them were studied in detail experimentally or computationally. Electronic band structure studies revealed an interesting detail of the phases of Ir-Ga systems. This study also suggested that the physical properties of these materials can be tuned by using the stoichiometry and structural deviations of the phases. We also propose that some of the phases could be interesting to search for novel physical properties. This result will generate the enthusiasm of experimentalist to further studies these iridate materials and also open a new avenue to broaden the search for new materials with potentially important novel physical properties.