5 papers
Temperature dependence of electronic conductivity from ab initio thermal simulation
Ridwan Hussein, Chinonso Ugwumadu, Kishor Nepal +3
We present a temperature-dependent extension of the approximate electronic conductivity formula of Hindley and Mott that leverages time-averaged fluctuations of the electronic dens…
Electronic and thermal properties of the phase-change memory material, Ge2Sb2Te5, and results from spatially resolved transport calculations
Kishor Nepal, Aashish Gautam, Ridwan Hussein +4
We report new insights into the electronic, structural, and transport (heat and charge) properties of the phase-change memory material Ge2Sb2Te5. Using realistic structural models…
Electronic conduction in copper-graphene composites with functional impurities
Kishor Nepal, Ridwan Hussein, Yahya Al-Majali +1
Coal-derived graphene-like material and its addition to FCC copper are investigated using ab initio plane wave density functional theory (DFT). We explore ring disorder in the sp2…
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…