Band parameters and electronic structures of wurtzite ZnO and ZnO/MgZnO quantum wells

摘要

The band structures of wurtzite ZnO are calculated by the empirical pseudopotential method (EPM). The eight parameters of the Zn and O atomic pseudopotential form factors are obtained with the formula of Schluter et al.[Phys. Rev. B 12, 4200 (1975)]. The band parameters are extracted by using a k·p Hamiltonian to fit the EPM results. The calculated band-edge energies (E_g, E_A, E_B, and E_C) at the Γ point are in good agreement with the experimental results. Based on the band parameters obtained, valence subbands of wurtzite ZnO/Mg_xZn_(1-x)O tensile-strained quantum wells with different well widths and Mg compositions are calculated by the six-band k·p method.