699 citations · 1.2k across the 23 of their papers we have counts for
3 papers · 1 filter
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…
Temperature-induced nanostructural evolution of hydrogen-rich voids in amorphous silicon: A first-principles study
Parthapratim Biswas, Durga Paudel, Raymond Atta-Fynn +1
The paper presents an study of temperature-induced nanostructural evolution of hydrogen-rich voids in amorphous silicon. By using large -Si models, obtained from c…
Atomistic simulation of nearly defect-free models of amorphous silicon: An information-based approach
Dil K. Limbu, Raymond Atta-Fynn, Parthapratim Biswas
We present an information-based total-energy optimization method to produce nearly defect-free structural models of amorphous silicon. Using geometrical, structural and topological…