Ab initio study of the structure and properties of amorphous silicon hydride from accelerated molecular dynamics simulations

Raymond Atta-Fynn, Somilkumar J. Rathi, Harsh Arya +1

This paper presents a large-scale $ab$ $initio$ simulation study of amorphous silicon hydride ($a$-Si${}_{\text{1-x}}$H${}_{\text{x}}$) with an emphasis on the structure and properties…