NONLINEAR BEHAVIOR OF QUANTUM TRANSPORT THROUGH NANOCONTACTS —AB INITIOCALCULATION STUDY

Kenji Hirose () and Nobuhiko Kobayashi
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Kenji Hirose: Fundamental Research Laboratories, NEC Corporation, 34 Miyukigaok, Tsukuba, Ibaraki 305-8501, Japan
Nobuhiko Kobayashi: Nanotechnology Research Institute (NRI), National Institute of Advanced Industrial Science and Technology (AIST), Umezono 1-1-1, Tsukuba, Ibaraki 305-8568, Japan

Surface Review and Letters (SRL), 2006, vol. 13, issue 02n03, 179-183

Abstract: We study the electronic states and current–voltage(I–V)characteristics of junction systems with atomic-scale nanocontacts as a function of the distance between electrodes by using the first-principles recursion-transfer-matrix (RTM) method combined with nonequilibrium Green function (NEGF) method. We observe a strong nonlinear behavior in theI–Vcharacteristics and correspondingly a gap structure emerges in the differential conductance. We find that such a nonlinear behavior appears when the transport properties change from tunneling to ballistic regimes.

Keywords: Quantum transport; ab initiocalculation; nanocontacts; scattering states; recursion-transfer-matrix (RTM) method (search for similar items in EconPapers)
Date: 2006
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DOI: 10.1142/S0218625X0600827X

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