Quantum transport of Au-S-S-Au nanoscale junctions

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	Quantum transport of Au-S-S-Au nanoscale junctions
	J. X. Yu; X. R. Chen; S. Sanvito; Y. Cheng
	2012
发表期刊	Applied Physics Letters
ISSN	0003-6951
卷号	100 期号:1
摘要	Transport in S(2) molecules sandwiched between Au electrodes is investigated with a combination of density functional theory and the non-equilibrium Green's function method. We consider four different configurations and find that their conductances are related to the details of the bonding geometry. When S(2) connects to pyramidal-shaped electrodes at the top site, the transmission is governed by a resonance and is strongly affected by the bias. In contrast, the transport of the remaining three configurations is through several closely spaced broad molecular orbitals, and the transmission coefficient is almost flat around the Fermi level. (C) 2012 American Institute of Physics. [doi:10.1063/1.3665614]
部门归属	[yu, jing-xin; chen, xiang-rong; cheng, yan] sichuan univ, inst atom & mol phys, coll phys sci & technol, chengdu 610064, peoples r china. [chen, xiang-rong] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [sanvito, stefano] trinity coll dublin, sch phys, dublin 2, ireland. [sanvito, stefano] trinity coll dublin, crann, dublin 2, ireland.;chen, xr (reprint author), sichuan univ, inst atom & mol phys, coll phys sci & technol, chengdu 610064, peoples r china.;x.r.chen@qq.com; sanvitos@tcd.ie; ycheng@scu.edu.cn
关键词	Conductance Molecule
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60420
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	J. X. Yu,X. R. Chen,S. Sanvito,et al. Quantum transport of Au-S-S-Au nanoscale junctions[J]. Applied Physics Letters,2012,100(1).
APA	J. X. Yu,X. R. Chen,S. Sanvito,&Y. Cheng.(2012).Quantum transport of Au-S-S-Au nanoscale junctions.Applied Physics Letters,100(1).
MLA	J. X. Yu,et al."Quantum transport of Au-S-S-Au nanoscale junctions".Applied Physics Letters 100.1(2012).