A-centers in silicon studied with hybrid density functional theory
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چکیده
منابع مشابه
Density Functional Theory Studies of Defects in the (5,5) Silicon Nanotube
We have performed density functional theory (DFT) calculations to investigate the properties of defect in arepresentative armchair model of silicon nanotubes (SiNTs). To this aim, the structures of pristine and defective(5,5) SiNTs have been optimized and the properties such as bond lengths, total energies, binding energies,.formation energies, gap energies, and dipole moments have been evaluat...
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تاریخ انتشار 2013