First-Principles Calculation of Transport Properties of a Molecular Device
作者： M. Di Ventra , S. T. Pantelides , N. D. Lang
DOI: 10.1103/PHYSREVLETT.84.979
关键词: Atomic physics 、 Molecule 、 Absolute value 、 Current (mathematics) 、 Tunnel effect 、 Physics 、 Electrical resistivity and conductivity 、 Microelectronics 、 Electronic structure 、 Nanotechnology
摘要: We report first-principles calculations of the current-voltage (I− V) characteristics of a molecular device and compare with experiment. We find that the shape of the I− V curve is largely …
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