Influence of Fröhlich polaron coupling on renormalized electron bands in polar semiconductors. Results for zincblende GaN

Abstract

\ni We develop a simple method to study the zero-point and thermally renormalized electron energy ${\epsilon }_{\mathbf{k}n}(T)$ for $\mathbf{k}n$ the conduction band minimum or valence maximum in polar semiconductors. We use the adiabatic approximation, including an imaginary broadening parameter $i\delta$ to supress noise in the density-functional integrations. Fröhlich polaron methods provide analytic expressions for the contribution of the problematic optical phonon mode. We use this to correct the renormalization obtained from the adiabatic approximation. Test calculations are done for zincblende GaN for an 18x18x18 integration grid. The Fröhlich correction is of order -0.02 eV for the zero-point energy shift of the conduction band minimum, and +0.03 eV for the valence band maximum; the correction to renormalization of the 3.28 eV gap is -0.05 eV, a significant fraction of the total zero point renormalization of -0.15 eV.

Information has been added to the introduction and some material has been moved to later sections. Clarifications regarding the method have been added

References in corpus (4)

• The temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation
• On the validity of the Franck-Condon principle in the optical spectroscopy: optical conductivity of the Fröhlich polaron
• Cumulant expansion for phonon contributions to the electron spectral function
• Low temperature-semiconductor band gap thermal shifts: T^4 shifts from ordinary acoustic and T^2 from piezoacoustic coupling

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