Liu P-L – TechConnect Briefs

Electronic Structure and Band Gap Engineering of ZnO-based Semiconductor Alloy Films

Liu P-L, Shao P-T, National Chung Hsing University, TW

We conduct first-principles total-energy density functional calculations to study the band structures and atomic structures in ZnO and Zn0.5M0.5O alloys using the planewave projector augmented-wave (PAW) method with the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional. We find [...]

Theoretical Studies in Epitaxial Stabilization of ZnO-based Light-emitting Semiconductors

Liu P-L, Siao Y-J, Lee M.H., National Chung Hsing University, TW

The device quality ZnO films are expected to next generation materials applied in the field of photo-electronic devices. We find that (0001)-oriented ZnO, Zn0.875Be0.125O, Zn0.875Mg0.125O, and Zn0.875Al0.125O strained layer lattices soften as lattice parameter of [...]