Abstract
Based on the first principle pseudopotential plane wave method, the electronic structure of zinc-blende semiconductor GaN is calculated. Using the relativistic treatment of valence states, the spin orbit splitting energy of valence band top near the center of Brillouin region is calculated. Based on the effective mass approximation theory, the effective mass of electrons near the bottom of the conduction band and the effective mass of light and heavy holes near the Γ point along the directions of [100], [110] and [111] are calculated. These parameters are valuable and important parameters of optoelectronic materials.
Highlights
Zinc-blende structure semiconductor materials are widely used in light-emitting diodes, laser diodes, photoelectric modulators and photodetectors, and the basic materials for making heterostructures, superlattices and quantum wells
Perlin [5] team measured the effective mass of electrons with reflection spectrum and Hall effect, and Gass M H [6], Shokhovets S [7] measured the effective mass of electrons with different experimental methods
Based on the first principle, the energy band structures near the valence band top (VBM) and conduction band bottom (CBM) of zinc-blende GaN are calculated by using the pseudopotential plane wave method (PP-PAW)
Summary
Zinc-blende structure semiconductor materials are widely used in light-emitting diodes, laser diodes, photoelectric modulators and photodetectors, and the basic materials for making heterostructures, superlattices and quantum wells. Ramos L E [1] group and Suzuki m [2] et al using the full potential linear augmented plane wave method (FLAPW), Fan W J [3] using the empirical pseudopotential method, and Ahn D [4] using the k.p method calculated the basic energy gap and effective mass of zinc-blende GaN. Perlin's indirect experimental results are questioned, because the best method to measure the effective mass of electrons is cyclotron resonance technology, and the Hall effect can not obtain the required high mobility and high magnetic. Based on the first principle, the energy band structures near the valence band top (VBM) and conduction band bottom (CBM) of zinc-blende GaN are calculated by using the pseudopotential plane wave method (PP-PAW). Combined with the effective mass approximation theory, the effective masses of electrons and holes near the center of Brillouin zone are obtained
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