Physics – Condensed Matter – Materials Science
Scientific paper
2010-02-12
Solid State Communications 150 (2010) 888-892
Physics
Condensed Matter
Materials Science
6 pages, 2 figure, accepted in Solid State Communications
Scientific paper
10.1016/j.ssc.2010.01.046
The bandgap and band bowing parameter of semiconductor alloys are calculated with a fast and realistic approach. The method is a dielectric scaling approximation that is based on a scissor approximation. It adds an energy shift to the bandgap provided by the local density approximation (LDA) of the density functional theory (DFT). The energy shift consists of a material-independent constant weighted by the inverse of the high-frequency dielectric constant. The salient feature of the approach is the fast calculation of the dielectric constant of alloys via the Green function (GF) of the TB-LMTO (tight-binding linear muffin-tin orbitals) in the atomic sphere approximation (ASA). When it is applied to highly mismatched semiconductor alloys (HMAs) like Zn Te$_x$ Se$_{1-x}$, this method provides a band bowing parameter that is different from the band bowing parameter calculated with the LDA due to the bowing exhibited also by the high-frequency dielectric constant.
Iftimie Radu I.
Sandu Titus
No associations
LandOfFree
Bandgaps and band bowing in semiconductor alloys does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Bandgaps and band bowing in semiconductor alloys, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Bandgaps and band bowing in semiconductor alloys will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-420512