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材料导报  2020, Vol. 34 Issue (18): 18039-18043    https://doi.org/10.11896/cldb.19090008
  机非金属及其复合材料 |
不同电极构型的砷烯和砷化锑扩展分子的电子输运性质
杨亚杰, 苏文勇, 衡成林, 王锋
北京理工大学物理学院,北京 100081
Electron Transport Properties of Arsenene and Antimony Arsenide Extended Molecules with Different Electrode Configurations
YANG Yajie, SU Wenyong, HENG Chenglin, WANG Feng
School of Physics, Beijing Institute of Technology, Beijing 100081, China
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摘要 通过杂化密度泛函理论和弹性散射格林函数方法,计算了不同电极结构的Au-As-Au和Au-AsSb-Au扩展分子的电子输运性质。结果表明,在两种Au-As-Au扩展分子中,类型Ⅰ扩展分子容易导通,并在0.5 V时达到较宽的3.8 nA饱和电流;类型Ⅱ扩展分子在0.4 V之前几乎没有电流,之后缓慢增加并在1.5 V达到与类型Ⅰ相同的饱和电流。这说明不同的电极接触方式改变了砷烯扩展分子的分子轨道性质,但是并未改变它们的最大电流导通能力。在两种Au-AsSb-Au扩展分子中,类型Ⅰ扩展分子容易导通并在0.5 V时达到较宽的1.8 nA饱和电流;类型Ⅱ扩展分子在1.0 V之前电流增加缓慢,之后迅速增加并在1.25 V达到1.0 nA饱和电流。对比发现,类型Ⅰ扩展分子容易导通且具有较宽的电流平台值;类型Ⅱ扩展分子不易导通,之后会达到一个较窄的电流平台值,这使砷类分子器件具备了更丰富的电子输运性质,从而在电路中满足稳恒输出、阈值开关、线性响应的不同要求。
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杨亚杰
苏文勇
衡成林
王锋
关键词:  砷烯  砷化锑  电子输运  饱和电流  阈值开关    
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
                    发布日期:  2020-09-12
ZTFLH:  O469  
基金资助: 国家自然科学基金(61775016;11774030;11374033;51735001)
通讯作者:  suwy@bit.edu.cn   
作者简介:  杨亚杰,于2017年9月至2020年7月就读于北京理工大学,并取得理学硕士学位,主要从事二维材料分子器件的电子输运性质研究。
苏文勇,北京理工大学副教授,硕士研究生导师。2002年毕业于北京理工大学,取得应用化学博士学位。之后,分别于2004—2006年到瑞典皇家理工学院理论化学系、2010年到中央兰开夏大学进行访问、合作研究,并一直保持良好的合作。他曾在国内外学术期刊上发表论文20余篇,并作为主要成员参加了2013年的中国自然科学基金项目(NSFC No.11374033)。他的研究方向为纳米电子器件,利用第一原理研究纳米器件中电子输运性质。
引用本文:    
杨亚杰, 苏文勇, 衡成林, 王锋. 不同电极构型的砷烯和砷化锑扩展分子的电子输运性质[J]. 材料导报, 2020, 34(18): 18039-18043.
YANG Yajie, SU Wenyong, HENG Chenglin, WANG Feng. Electron Transport Properties of Arsenene and Antimony Arsenide Extended Molecules with Different Electrode Configurations. Materials Reports, 2020, 34(18): 18039-18043.
链接本文:  
http://www.mater-rep.com/CN/10.11896/cldb.19090008  或          http://www.mater-rep.com/CN/Y2020/V34/I18/18039
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