不同电极构型的砷烯和砷化锑扩展分子的电子输运性质

doi:10.11896/cldb.19090008

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Abstract The electron transport properties of Au-As-Au and Au-AsSb-Au extended molecules with different electrode structures were calculated by hybrid density functional theory and elastic scattering Green function method. The results show that, among two Au-As-Au extended molecules, type I extended molecule is easy to conduct and reaches a wide saturation current of 3.8 nA at 0.5 V; type II extended molecule has almost no current before 0.4 V, then increases slowly and reaches the same saturation current as type I at 1.5 V. This shows that different electrode contact methods change the orbital characteristics of arsenic extended molecules, but don't change their maximum current conducting ability. Among two Au-AsSb-Au extended molecules, type I extended molecule is easy to conduct and reaches a wide saturation current of 1.8 nA at 0.5 V; type II extended molecule increases slowly before 1.0 V, then increases rapidly after 1.25 V and reaches 1.0 nA saturation current. Finally, it is found that type I extended molecule is easy to conduct and has a wide current plateau value, while type II extended molecule is not easy to conduct and has a narrow current plateau value, which make arsenic molecular devices have more electron transport properties, to meet the different requirements of steady current output, threshold switch, linear response.

Key words： arsenene antimony arsenide electron transport saturation current threshold switch

Published: 12 September 2020

CLC number:

O469

Fund:This work was financially supported by the National Natural Science Foundation of China (61775016,11774030, 11374033, 51735001).

About author:: Yajie Yangreceived her M.S. degree from Beijing Institute of Technology in Sep. 2017—Jul. 2020. She mainly focused on the research of the electronic transport properties of two-dimensional material molecular devices.
Wenyong Sureceived his Ph.D. degree in physical chemistry from the Beijing Institute of Technology in 2002. He is currently an associate professor and master supervisor maintaining good cooperation with Royal Institute of Technology (KTH). He performed visiting researcher in Department of Theoretical Chemistry, Royal Institute of Technology in 2004—2006, and in 2010 visited the University of Central Lancashire. He has published more than 20 journal papers, and participated as the main member obtain Natural Science Foundation of China (NSFC No.11374033) in 2013. His major research interest is nano-electronics, which is using the first principle to study electron transport characteristics in nano-devices.

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Cite this article:

YANG Yajie,SU Wenyong,HENG Chenglin, et al. Electron Transport Properties of Arsenene and Antimony Arsenide Extended Molecules with Different Electrode Configurations[J]. Materials Reports, 2020, 34(18): 18039-18043.

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http://www.mater-rep.com/EN/10.11896/cldb.19090008 OR http://www.mater-rep.com/EN/Y2020/V34/I18/18039

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