The Effect of Strained Bonds on the Electronic Structure of Amorphous Silicon

2020/12/22 by Reza Vatan Meidanshahi, Meidanshahi, Reza Vatan, Payam Mehr +3
Engineering · Materials Science · #Disordered Systems and Neural Networks (cond-mat.dis-nn) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Silicon Nanostructures and Photoluminescence #Silicon and Solar Cell Technologies #Thin-Film Transistor Technologies

paper · pdf · doi:10.48550/arxiv.2012.11992

openalex publication_date 2020/12/22 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Several amorphous silicon structures were generated using a classical molecular dynamics (MD) protocol of melting and quenching with different quenching rates. An analysis of the calculated electronic properties of these structures revealed that the midgap state density of a-Si which is of interest for solar cell and thin film transistor applications can be correlated to bond angle standard deviation. We also found that this parameter can strongly determine the excess energy of a-Si, which is an important criteria in theoretically generating realistic atomic structures of a-Si.

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