The results are based on DFT calculations of hydroxyapatite (HAP) structures, pristine and defective, determined by various defects formed by Oxygen vacancy dependent on its charged states. Ordered hexagonal and monoclinic HAP phases have own spontaneous polarization, while disordered do not have it. These ferroelectric properties determined by orientation of OH dipoles provide piezoelectric and pyroelectric ph...
The results are based on DFT calculations of hydroxyapatite (HAP) structures, pristine and defective, determined by various defects formed by Oxygen vacancy dependent on its charged states. Ordered hexagonal and monoclinic HAP phases have own spontaneous polarization, while disordered do not have it. These ferroelectric properties determined by orientation of OH dipoles provide piezoelectric and pyroelectric ph...