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

Автори A. Mallaiah1, G.N. Swamy2, K. Padmapriya3
Приналежність

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
Випуск Том 9, Рік 2017, Номер 1
Дати Одержано 02.11.2016, у відредагованій формі - 07.02.2017, опубліковано online - 20.02.2017
Посилання 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
Ключові слова HOMO (10) , LUMO, Molecular orbital (2) , Transmission spectrum (2) .
Анотація 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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