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Effects of oxygen adsorption on spin transport properties of single anthracene molecular devices

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成果类型:
期刊论文
作者:
Cui Xing-Qian;Liu Qian;Fan Zhi-Qiang*;Zhang Zhen-Hua
通讯作者:
Fan Zhi-Qiang
作者机构:
[Zhang Zhen-Hua; Cui Xing-Qian; Liu Qian; Fan Zhi-Qiang] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Peoples R China.
通讯机构:
[Fan Zhi-Qiang] C
Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Hunan Prov Key Lab Flexible Elect Mat Genome Engn, Changsha 410114, Peoples R China.
语种:
中文
关键词:
石墨烯纳米带;分子吸附;自旋输运;自旋过滤
关键词(英文):
graphene nanoribbons;molecular adsorption;spin transport;spin filtering
期刊:
物理学报
ISSN:
1000-3290
年:
2020
卷:
69
期:
24
页码:
307-313
基金类别:
National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [11674039, 61701431]; Natural Science Foundation of Hunan Province, ChinaNatural Science Foundation of Hunan Province [2020JJ4597, 2020JJ4625]; Science Foundationcd of Education Bureau of Hunan Province, China [18B157]; Postgraduate Scientific Research Innovation Program of Hunan Province, China [CX2019703]
机构署名:
本校为第一且通讯机构
院系归属:
物理与电子科学学院
摘要:
利用基于密度泛函理论结合非平衡格林函数的第一性原理计算方法,开展了氧气分子吸附对以石墨烯纳米带为电极的单蒽分子器件自旋极化输运性质的调控物理机理探索研究.计算结果显示,在未吸附氧气分子时,单蒽分子以横向方式连接石墨烯纳米带要比单蒽分子以纵向方式连接石墨烯纳米带具有更优异的自旋过滤效应.当氧气吸附单蒽分子后,两种构型器件的自旋电流都会大幅度降低,但是自旋过滤效应会有所增强.尤其是单蒽分子以横向方式连接石墨烯纳米带的器件在±0.5 V区间始终保持了近100%的自旋过滤效率.通过分析器件的自旋极化输运谱、输运本征态和自旋过滤效率等,详细地解释了氧气分子吸附调控器件的自旋...
摘要(英文):
With the miniaturization of molecular devices, high-performance nano devices can be fabricated by controlling the spin states of electrons. Because of their advantages such as low energy consumption, easy integration and long decoherence time, more and more attention has been paid to them. So far, the spin filtration efficiency of molecular device with graphene electrode is not very stable, which will decrease with the increase of voltage, and thus affecting its applications. Therefore, how to enhance the spin filtration efficiency of molecular...

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