The effect of charge transfer on the transport properties of Si2Li clusters: a first-principles study

Autor:	Wenhua Liu, Wei Hu, Qingling Wang, Haiqing Wan, Qinghua Zhou, Yan Liang
Rok vydání:	2021
Předmět:	Physics Adsorption Chemical physics 0103 physical sciences Electrode General Physics and Astronomy Charge (physics) 02 engineering and technology 021001 nanoscience & nanotechnology 010306 general physics 0210 nano-technology 01 natural sciences
Zdroj:	Canadian Journal of Physics. 99:94-99
ISSN:	1208-6045 0008-4204
DOI:	10.1139/cjp-2019-0573
Popis:	The transport properties of two different Si2Li clusters adsorption structures (bridge-site type and apex-site type) between two semi-infinite Au(100)-3 × 3 electrodes have been studied using first principles based on density functional theory and non-equilibrium Green's function in this paper. The I–V curves of both systems are linear and demonstrate the properties of metal resistance. The bridge-site type displays better electron transport capacity due to more transferring charge between the cluster and electrodes. The conductance change of the two systems becomes completely different due to the drift of the energy level under bias, which is no longer dependent on the transfer of charge.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::8837c07a4eed106f2803e36bf2dde406 https://doi.org/10.1139/cjp-2019-0573 Zobrazit plný text záznamu Plný text ve formátu PDF