Abstract
Electronic state calculations provide us important information about materials and devices. For silicon oxidation, details of atomic transport, such as diffusion/reaction path and barrier height, can be clarified. For diamond/metal interface, details of Schottky barrier height control mechanism, such as potential variation and electron redistribution, can be clarified. For silicon nanoslab, details of modification of the optical dielectric constant, such as the relation between the band gap and the optical dielectric constant, can be clarified. For graphene on SiC, details of physical properties and formation mechanism, such as growth path and electronic properties, can be clarified. Recent aggressive progress in calculation size might lead us to treat more realistic and more complex materials/devices as well as to obtain more fruitful information for the research.
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