Enhanced oscillatory rectification and negative differential resistance in pentamantane diamondoid-cumulene systems

Abbas, S, Cui, X, Ringer, S and Stampfl, C 2016, 'Enhanced oscillatory rectification and negative differential resistance in pentamantane diamondoid-cumulene systems', Nanoscale, vol. 8, no. 6, pp. 3461-3466.


Document type: Journal Article
Collection: Journal Articles

Title Enhanced oscillatory rectification and negative differential resistance in pentamantane diamondoid-cumulene systems
Author(s) Abbas, S
Cui, X
Ringer, S
Stampfl, C
Year 2016
Journal name Nanoscale
Volume number 8
Issue number 6
Start page 3461
End page 3466
Total pages 6
Publisher Royal Society of Chemistry
Abstract We propose a new functionality for diamondoids in nanoelectronics. Based on the nonequilibrium Green's function formalism and density functional theory, we reveal that when attached to gold electrodes, the pentamantanecumulene molecular junction exhibits large and oscillatory rectification and negative differential resistance (NDR) depending on the number of carbon atoms in cumulene (Cn). When n is odd rectification is greatly enhanced where the rectification ratio can reach ∼180 and a large negative differential resistance peak current of ∼3 μA. This oscillatory behavior is well rationalised in terms of the occupancy of the carbon 2p states in Cn. Interestingly, different layers of C atoms in the pentamantane molecule have different contributions to transmission. The first and third layers of C atoms in pentamantane have a slight contribution to rectification, and the fifth and sixth layers have a stronger contribution to both rectification and NDR. Thus, our results suggest potential avenues for controlling their functions by chemically manipulating various parts of the diamondoid molecule, thus extending the applications of diamondoids in nanoscale integrated circuits.
Subject Electronic and Magnetic Properties of Condensed Matter; Superconductivity
Radiation and Matter
Quantum Chemistry
DOI - identifier 10.1039/c5nr07467c
Copyright notice © The Royal Society of Chemistry 2016
ISSN 2040-3364
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