Modeling and simulation of electronic structure, material interface and random doping in nano-electronic devices
نویسندگان
چکیده
منابع مشابه
Modeling and simulation of electronic structure, material interface and random doping in nano-electronic devices
The miniaturization of nano-scale electronic devices, such as metal oxide semiconductor field effect transistors (MOSFETs), has given rise to a pressing demand in the new theoretical understanding and practical tactic for dealing with quantum mechanical effects in integrated circuits. Modeling and simulation of this class of problems have emerged as an important topic in applied and computation...
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To calculation non-bonded interaction of the [CoCl6]3- complex embedded in nano ring, we focus on the single wall boron-nitride B18N18 nano ring. Thus, the geometry of B18N18 nano ring has been optimized by B3LYP method with EPR-II (Electron paramagnetic resonance) basis set and geometry of the [CoCl6]3- complex has been optimized at B3LYP method with Aldrich’s VTZ basis set and Stuttgart RSC 1...
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ژورنال
عنوان ژورنال: Journal of Computational Physics
سال: 2010
ISSN: 0021-9991
DOI: 10.1016/j.jcp.2010.02.002