کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1594827 | 1515658 | 2010 | 5 صفحه PDF | دانلود رایگان |
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-LMTOs (tight-binding linear muffin-tin orbitals) in the atomic sphere approximation (ASA). When it is applied to highly mismatched semiconductor alloys (HMAs) like Zn TexSe1−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.
Journal: Solid State Communications - Volume 150, Issues 17–18, May 2010, Pages 888–892