Effective masses and complex dielectric function of cubic HfO2

摘要

The electronic band structure of cubic HfO2 is calculated using an it abinitio all-electron self--consistent linear augmented plane-wave method, withinthe framework of the local-density approximation and taking into accountfull-relativistic contributions. From the band structure, the carrier effectivemasses and the complex dielectric function are obtained. The \Gamma-isotropicheavy and light electron effective masses are shown to be several times heavierthan the electron tunneling effective mass measured recently. The imaginarypart of the complex dielectric function \epsilon_2(\omega) is in good agreementwith experimental data from ultraviolet spectroscopic ellipsometry measurementsin bulk yttria-stabilized HfO2 as well as with those performed in filmsdeposited with the tetrakis diethylamido hafnium precursor for energies smallerthan 9.5 eV.