caa a22 4500 605513570 CHVBK 20210128100700.0 cr unu---uuuuu 210128e20150201xx s 000 0 eng 10.1007/s00894-014-2544-6 doi (NATIONALLICENCE)springer-10.1007/s00894-014-2544-6 Transport engineering design of AND and NOR gates with a 1,4-2-phenyl-dithiolate molecule [Elektronische Daten] [Aliasghar Shokri, Sayed Mirzanian] We have explored logical AND and NOR gate responses of a 1,4-2-phenyl-dithiolate molecule threaded by a magnetic flux ϕ in two-terminal junctions by using the Green's function method in the framework of a nearest-neighbor tight-binding approximation. Here, we put emphasis on the logical gate voltages, and obtain the electrical transmission and current-voltage characteristics with metal-molecule-metal (m-M-m) tunnel junctions. The hopping integral among two neighboring atoms in the molecule was quantitatively estimated by means of density functional theory (DFT) calculations. Our results show that the AND and NOR responses are explored through our molecular junction for a typical value of the magnetic flux. The numerical results may shed light on the next applications of molecular systems and make them a good, promising candidate for field-effect transistors. Springer-Verlag Berlin Heidelberg, 2014 Shokri Aliasghar Department of Physics, Payame Noor University, PO Box 19395-3697, Tehran, Iran aut Mirzanian Sayed Department of Mathematics and Physics, College of Basic Science, East Tehran Branch, Islamic Azad University, Tehran, Iran aut Journal of Molecular Modeling Springer Berlin Heidelberg 21/2(2015-02-01), 1-7 1610-2940 21:2<1 2015 21 894 https://doi.org/10.1007/s00894-014-2544-6 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s00894-014-2544-6 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Shokri Aliasghar Department of Physics, Payame Noor University, PO Box 19395-3697, Tehran, Iran aut NATIONALLICENCE 700 1- Mirzanian Sayed Department of Mathematics and Physics, College of Basic Science, East Tehran Branch, Islamic Azad University, Tehran, Iran aut NATIONALLICENCE 773 0- Journal of Molecular Modeling Springer Berlin Heidelberg 21/2(2015-02-01), 1-7 1610-2940 21:2<1 2015 21 894