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Ab initio calculations of quantum transport of Au-GaN-Au nanoscale junctions
T. Zhang; Y. Cheng; X. R. Chen
2014
Source PublicationRsc Advances
ISSN2046-2069
Volume4Issue:94Pages:51838-51844
AbstractWe investigate the contact geometry and electronic transport properties of a GaN pair sandwiched between Au electrodes by performing density functional theory plus the non-equilibrium Green's function method. The Au-GaN-Au junction breaking process is simulated. We calculate the corresponding cohesion energy and obtain the equilibrium conductance and the projected density of states of junctions. We also calculate the pulling force of the four configurations, and the spatial electron density difference after the junction is broken. In addition, the current of junctions is computed under small bias. It is found that all junctions have large conductance showing a non-linear I-V relationship.
description.department[zhang, tian ; cheng, yan ; chen, xiang-rong] sichuan univ, coll phys sci & technol, inst atom & mol phys, chengdu 610065, peoples r china. [chen, xiang-rong] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. ; cheng, y (reprint author), sichuan univ, coll phys sci & technol, inst atom & mol phys, chengdu 610065, peoples r china. ; ycheng@scu.edu.cn ; xrchen@scu.edu.cn
KeywordNegative Differential Resistance Molecular-transport Conductance Pseudopotentials Device
URL查看原文
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/73499
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
T. Zhang,Y. Cheng,X. R. Chen. Ab initio calculations of quantum transport of Au-GaN-Au nanoscale junctions[J]. Rsc Advances,2014,4(94):51838-51844.
APA T. Zhang,Y. Cheng,&X. R. Chen.(2014).Ab initio calculations of quantum transport of Au-GaN-Au nanoscale junctions.Rsc Advances,4(94),51838-51844.
MLA T. Zhang,et al."Ab initio calculations of quantum transport of Au-GaN-Au nanoscale junctions".Rsc Advances 4.94(2014):51838-51844.
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