Abstract
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 (Eg, EA, EB, and EC) at the Γ point are in good agreement with the experimental results. Based on the band parameters obtained, valence subbands of wurtzite ZnO∕MgxZn1−xO tensile-strained quantum wells with different well widths and Mg compositions are calculated by the six-band k∙p method.
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