کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1517681 | 1511589 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Tight-binding parameterization of α-Sn quasiparticle band structure
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
The diamond structure of tin (α-Sn) can be stabilized in nanocrystals embedded in a suitable host. We developed highly accurate parameterizations for tight-binding simulation of such structures incorporating strain and spin–orbit interaction. Parameters are obtained by fitting to ab initio GW quasiparticle band structures of unstrained α-Sn as well as geometries under uniform compressive or tensile strain. The optical response calculated from this fit is in excellent agreement with experiments. As an application, confinement induced band gaps in strained and unstrained 3 nm nanocrystals are computed. It is found that compressive and tensile strain raises and lowers the gap, respectively.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 71, Issue 1, January 2010, Pages 18–23
Journal: Journal of Physics and Chemistry of Solids - Volume 71, Issue 1, January 2010, Pages 18–23
نویسندگان
Thomas G. Pedersen, Christian Fisker, Rasmus V.S. Jensen,