110 citations · 562 across the 36 of their papers we have counts for
37 papers
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 simulation study of amorphous silicon hydride (-SiH) with an emphasis on the structure and properties…
Ab initio studies of the impact of the Debye-Waller factor on the structural and dynamical properties of amorphous semiconductors: The case of -Si
Devilal Dahal, Raymond Atta-Fynn, Stephen R. Elliott +1
This paper presents a first-principles study of the Debye-Waller factor and the Debye temperature for amorphous silicon (-Si) from lattice-dynamical calculations and direct mole…
Extended-range order in tetrahedral amorphous semiconductors: The case of amorphous silicon
Devilal Dahal, Stephen R. Elliott, Parthapratim Biswas
This paper reports the presence of extended-range ordering in the atomic pair-correlation function of amorphous silicon (-Si) using ultra-large atomistic models obtained from Mo…
hydrogen dynamics and the morphology of voids in amorphous silicon
Parthapratim Biswas, Dil Limbu
This paper presents an study of hydrogen dynamics inside nanometer-size voids in -Si within the framework of the density-functional theory for a varying hydrogen l…
On the origin and the structure of the first sharp diffraction peak of amorphous silicon
Devilal Dahal, Hiroka Warren, Parthapratim Biswas
The structure of the first sharp diffraction peak (FSDP) of amorphous silicon (-Si) near 2 Angstrom is addressed with particular emphasis on the position, intensity…
Disorder by design: A data-driven approach to amorphous semiconductors without total-energy functionals
Dil K. Limbu, Stephen R. Elliott, Raymond Atta-Fynn +1
This paper addresses a difficult inverse problem that involves the reconstruction of a three-dimensional model of tetrahedral amorphous semiconductors via inversion of diffraction…