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cond-mat.mtrl-sci2024
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…
cond-mat.mtrl-sci2024★ 3 cited
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…