LOCALIZATION OF THE ENERGY STATES OF LEAD INDUCING THE EFFECT OF RECTIFICATION AND NEGATIVE DIFFERENTIAL RESISTANCE PREDICTED BY FIRST-PRINCIPLES STUDY
2013 ◽
Vol 27
(17)
◽
pp. 1350081
◽
Keyword(s):
The first-principles calculations of the transport characteristics of 4-(5-(2-(5-(4-mercaptophenyl)thiophene-2-yl)ethyl)pyridin-2-yl)benzenethiol sandwiched between two gold leads are performed. The effect of rectification and negative differential resistance (NDR) are obtained, which promise the potential applications in the field of molecular electronics. The rectification effect is 4.49. The peak/valley ratio of the NDR effect is as large as 4.51 for the forward bias and 12.09 for the reverse bias. The strong coupling between gold lead and molecule through thiolate results in the localization of the energy states of gold lead, which may induce the effect of rectification and NDR.
2018 ◽
Vol 17
(06)
◽
pp. 1850038
◽
2020 ◽
Vol 15
(2)
◽
pp. 269-275
2019 ◽
Vol 7
(39)
◽
pp. 12312-12320
◽