Theoretical study of electronic structure and optical properties for ZnO thin film

AT Shihatha, AM Ghelab, RA Munfi - AIP Conference Proceedings, 2022 - pubs.aip.org
In this work, Calculated electronic structures and optical absorption for zinc oxide wurtzite
are investigated with the pseudo-potentials technique from within the conceptual frame of
Density-Functional Theory using numerous exchange–correlational energy functions (XC) to
describe the lattice parameters, band structures, density of state, partial density of state and
absorption coefficient to Zinc Oxide, As the compound we mentioned earlier belongs to the
P63 MC symmetry group. All properties calculated by the functional agreed with the …
以上显示的是最相近的搜索结果。 查看全部搜索结果