Sample dependence of the structural, vibrational, and electronic properties of a-Si:H: A density-functional-based tight-binding study

Ranber Singh, S. Prakash, Nitya Nath Shukla +1

The sample dependence of various properties of hydrogenated amorphous silicon ($a$-Si:H) have been studied with 216 silicon atoms and 24 hydrogen atoms using the density functional…