140 citations · 1.5k across the 87 of their papers we have counts for
4 papers · 2 filters
New models of clean and hydrogenated amorphous silicon surfaces
Kishor Nepal, Aashish Gautam, Chinonso Ugwumadu +1
We present new atomistic models of amorphous silicon (a-Si) and hydrogenated amorphous silicon (a-Si:H) surfaces. The a-Si model included 4096 atoms and was obtained using local or…
Site-projected Thermal Conductivity: Application to defects, interfaces, and homogeneously disordered materials
A. Gautam, Y. G. Lee, C. Ugwumadu +3
With the rapid advance of high-performance computing and electronic technologies, understanding thermal conductivity in materials has become increasingly important. This study pres…
Signatures of paracrystallinity in amorphous silicon
Louise A. M. Rosset, David A. Drabold, Volker L. Deringer
The structure of amorphous silicon (a-Si) has been studied for decades. The two main theories are based on a continuous random network and on a `paracrystalline' model, respectivel…
Physical origin of enhanced electrical conduction in aluminum-graphene composites
K. Nepal, C. Ugwumadu, K. N. Subedi +2
The electronic and transport properties of aluminum-graphene composite materials were investigated using ab initio plane wave density functional theory. The interfacial structure i…