Semi-empirical tight binding method for calculating energy levels of hydrogenated silicon nanoclusters as a function of size

نویسندگانFarzad Bonabi - Bahram Bahrami
نشریهMaterials Science in Semiconductor Processing
شماره صفحاتPages 335-342
شماره مجلد27
نوع مقالهFull Paper
تاریخ انتشار2014
رتبه نشریهISI
نوع نشریهچاپی
کشور محل چاپبریتانیا

چکیده مقاله

A semi-empirical tight binding model is used for calculating energy levels of spherical hydrogenated silicon nanoclusters in the form of SimHn and two independent bases. The first basis is the nearest neighbor approximation of sp3s orthogonal basis and the second basis is the third nearest neighbor approximation of sp3 nonorthogonal basis. Also, bulk properties of silicon crystal are used in the calculations. As we expected, obtained results show that the change in the size of nanoclusters has a great influence on their energy levels. So optical properties of these nanoclusters can be controlled externally. A comparative study on the calculated results and experimental results also reveals a good agreement between the two approaches.

لینک ثابت مقاله

tags: Tight binding; Energy levels; Hydrogenated silicon; Nanoclusters; Bulk properties; Optical properties