Time-saving first-principles calculation method for electron transport between jellium electrodes
نویسندگان
چکیده
منابع مشابه
Time-saving first-principles calculation method for electron transport between jellium electrodes.
We present a time-saving simulator within the framework of the density functional theory to calculate the transport properties of electrons through nanostructures suspended between semi-infinite electrodes. By introducing the Fourier transform and preconditioning conjugate-gradient algorithms into the simulator, a highly efficient performance can be achieved in determining scattering wave funct...
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ژورنال
عنوان ژورنال: Physical Review E
سال: 2010
ISSN: 1539-3755,1550-2376
DOI: 10.1103/physreve.82.056706