Comprehensive investigation of the electronic properties of zinc and cobalt doped hydroxyapatite

Abstract

This study presents a comprehensive investigation into the electronic properties of Hydroxyapatite (HAp) doped with Zinc (Zn) and Cobalt (Co). Five distinct compositions, denoted as 0.15Zn-HAp, 0.15Co-0.15Zn-HAp, 0.30Co-0.15Zn-HAp, 0.45Co-0.15Zn-HAp, and 0.6Co-0.15Zn-HAp (at%,) have been systematically studied employing Density of States (DOS) and band structure calculations. The computed band gap values for these compositions were determined to be 4.6663, 4.6888, 4.7049, 4.7159, and 4.7082 eV, respectively. These results illuminate the profound influence of Zn and Co doping on the electronic structure of Hydroxyapatite. These findings hold significant implications for the potential applications of these materials in diverse technological and biomedical domains. The systematic approach and precise electronic property characterizations presented in this study provide a robust foundation for further advancements in the realm of advanced materials, with particular relevance to the development of innovative materials for use in cutting-edge technologies and medical applications.