Journal Article

FZJ-2015-07446

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Ballistic Electron Transport Through Nanostructure Junctions from a Real-Space Finite-Difference Approach

Tsukamoto, S. (Corresponding author)FZJ* ; Ono, T. ; Egami, Y.

2015
American Scientific Publishers Valencia, Calif.

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Please use a persistent id in citations: doi:10.1166/qm.2015.1213

Abstract: In this article we briefly overview our theoretical studies on ballistic electron transport through nanoscale junction structures by means of our first-principles electron transport calculation method based on the real-space finite difference formalism within the framework of the density functional theory. In particular, we have theoretically explored the possibility to specifically tune the electron transport properties of benzene-based molecular junctions by the physically and chemically functionalization. Moreover, we have also studied the ballistic scattering of propagating electrons at a single impurity in a Ge dimer row by employing a semi-infinite electrode system, which is more realistic than conventional periodic models.

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)
3. JARA-FIT (JARA-FIT)

Research Program(s):

1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)

Appears in the scientific report 2015

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