Effect of π Orbital on I/V Characteristics and Transmission in Molecular Diode Structures with Au Contacts

Authors A. Mallaiah1, G.N. Swamy2, K. Padmapriya3

1 Research Scholar, JNTUA, Anthapuramu, A.P, India

2 Department of EI&E, VR Siddhartha Engineering College, Vijayawada, A.P, India

3 Department of ECE, JNTUK, Kakinada, A.P, India

Е-mail malli797@gmail.com
Issue Volume 9, Year 2017, Number 1
Dates Received 02 November 2016; revised manuscript received 07 February 2017; published online 20 February 2017
Citation A. Mallaiah, G.N. Swamy, K. Padmapriya, J. Nano- Electron. Phys. 9 No 1, 01001 (2017)
DOI 10.21272/jnep.9(1).01001
PACS Number(s) 64.70.Nd, 73.63. – b, 78.67.Uh
Keywords HOMO (10) , LUMO, Molecular orbital (2) , Transmission spectrum (2) .
Annotation The electronic transport properties of electrons in a molecules are observed by using Non equilibrium Green’s function(NEGF). We present a extremely through and careful computational approach well ordered method to do a framework analysis of donor (CH3) and acceptor (CN) molecules connected between the Au(111) contacts, and also observed current progress through molecular devices depends on number of bonds or not. Such observations implementation through not possible by standard quantum chemistry soft wares. The results shows I-V characteristics, Transport spectrum and Transport analysis can effectively tune the molecules works like a conventional semi-conductor based diodes, these results invoke to design the logic gates and logic circuits.

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