Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom

doi:10.1088/1674-1056/24/11/117204

中国物理B ›› 2015, Vol. 24 ›› Issue (11): 117204-117204.doi: 10.1088/1674-1056/24/11/117204

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom

杨玉娥, 肖杨, 颜晓红, 戴昌杰

Department of Applied Physics, Nanjing University of Aeronautics and Astronautics, Nanjing 211106, China

收稿日期:2015-04-19 修回日期:2015-06-11 出版日期:2015-11-05 发布日期:2015-11-05
通讯作者: Xiao Yang E-mail:fryxiao@nuaa.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11374162 and 51032002) and the Key Project of the National High Technology Research and Development Program of China (Grant No. 2011AA050526).

Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom

Yang Yu-E (杨玉娥), Xiao Yang (肖杨), Yan Xiao-Hong (颜晓红), Dai Chang-Jie (戴昌杰)

Department of Applied Physics, Nanjing University of Aeronautics and Astronautics, Nanjing 211106, China

Received:2015-04-19 Revised:2015-06-11 Online:2015-11-05 Published:2015-11-05
Contact: Xiao Yang E-mail:fryxiao@nuaa.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11374162 and 51032002) and the Key Project of the National High Technology Research and Development Program of China (Grant No. 2011AA050526).

摘要/Abstract

摘要： We have performed density-functional calculations of the transport properties of the zigzag graphene nanoribbon (ZGNR) adsorbed with a single iron atom. Two adsorption configurations are considered, i.e., iron adsorbed on the edge and on the interior of the nanoribbon. The results show that the transport features of the two configurations are similar. However, the transport properties are modified due to the scattering effects induced by coupling of the ZGNR band states to the localized 3d-orbital state of the iron atom. More importantly, one can find that several dips appear in the transmission curve, which is closely related to the above mentioned coupling. We expect that our results will have potential applications in graphene-based spintronic devices.

关键词: graphene nanoribbon, transport properties, iron adatom

Abstract: We have performed density-functional calculations of the transport properties of the zigzag graphene nanoribbon (ZGNR) adsorbed with a single iron atom. Two adsorption configurations are considered, i.e., iron adsorbed on the edge and on the interior of the nanoribbon. The results show that the transport features of the two configurations are similar. However, the transport properties are modified due to the scattering effects induced by coupling of the ZGNR band states to the localized 3d-orbital state of the iron atom. More importantly, one can find that several dips appear in the transmission curve, which is closely related to the above mentioned coupling. We expect that our results will have potential applications in graphene-based spintronic devices.

Key words: graphene nanoribbon, transport properties, iron adatom

中图分类号: (Electronic transport in graphene)

72.80.Vp

72.25.-b (Spin polarized transport) 73.20.Hb (Impurity and defect levels; energy states of adsorbed species)

杨玉娥, 肖杨, 颜晓红, 戴昌杰. Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom[J]. 中国物理B, 2015, 24(11): 117204-117204.

Yang Yu-E (杨玉娥), Xiao Yang (肖杨), Yan Xiao-Hong (颜晓红), Dai Chang-Jie (戴昌杰). Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom[J]. Chin. Phys. B, 2015, 24(11): 117204-117204.

参考文献 41

[1]	Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Gregorieva I V and Firsov A A;2004 Science 306 666
[2]	Novoselov K S, Geim A K, Morozov S V, Jiang D, Katsnelson M I, Gregorieva I V, Dubonos S V and Firsov A A;2005 Nature 438 197
[3]	Zhang Y, Tan Y W, Stormer H L and Kim P;2005 Nature 438 201
[4]	Wei Z J, Fu Y Y, Liu J B, Wang Z D, Jia Y H, Guo J, Ren L M, Chen Y F, Zhang H, Huang R and Zhang X;2014 Chin. Phys. B 23 117201
[5]	Fang C, Liang T X and Sun L F;2013 Chin. Phys. Lett. 30 047201
[6]	Amara H, Latil S, Meunier V, Lambin P and Charlier J C;2007 Phy. Rev. B 76 115423
[7]	Zheng Y and Ando T;2002 Phys. Rev. B 65 245420
[8]	Du X, Skachko I, Barker A and Andrei E Y;2008 Nat. Nanotech. 3 491
[9]	Bolotin K I, Sikes K J, Hone J, Stormer H L and Kim P;2008 Phys. Rev. Lett. 101 096802
[10]	Wu Y Q, Ye P D, Capano M A, Xuan Y, Sui Y and Qi M;2008 Appl. Phys. Lett. 92 092102
[11]	Ezawa M;2006 Phys. Rev. B 73 045432
[12]	Brey L and Fertig H A;2006 Phys. Rev. B 73 235411
[13]	Zheng H X, Wang Z F, Luo T, Shi Q W and Chen J;2007 Phys. Rev. B 75 165414
[14]	Wang Z F, Li Q X, Zheng H X, Ren H and Su H B;2007 Phys. Rev. B 75 113406
[15]	Zeng H, Zhao J, Wei J W and Hu H F;2011 Eur. Phys. J. B 79 335
[16]	Zheng H X and Duley W;2008 Phys. Rev. B 78 045421
[17]	Song L L, Zheng X H, Wang R L and Zeng Z;2010 J. Phys. Chem. C 114 12145
[18]	Li B, Xu D H and Zeng H;2014 Acta Phys. Sin. 63 117102 (in Chinese)
[19]	Xiao J, Yang Z X, Xie W T, Xiao L X, Xu H and Ouyang F P;2012 Chin. Phys. B 21 027102
[20]	Zheng X H, Song L L, Wang R N, Hao H, Guo L J and Zeng Z;2010 Appl. Phys. Lett. 97 153129
[21]	Xu J M, Hu X H and Sun L T 2012 Acta Phys. Sin. 61 027104 (in Chinese)
[22]	Zhang H Z, Meng S, Yang H F, Li L, Fu H X, Ma W, Niu C Y, Sun J T and Gu C Z;2015 J. Appl. Phys. 117 113902
[23]	Longo R C, Carrete J and Gallego L J;2011 Phys. Rev. B 83 235415
[24]	Jaiswal N K and Srivastava P;2013 Physica E 54 103
[25]	Rigo V A, Martins T B, Silva A J R, Fazzio A and Miwa R H;2009 Phys. Rev. B 79 075435
[26]	Martins T B, Miwa R H, Silva A J R and Fazzio A;2007 Phys. Rev. Lett. 98 196803
[27]	Caterina C, Deborah P, Arrigo C and Elisa M;2010 J. Chem. Phys. 133 124703
[28]	Gyamfi M, Eelbo T, Wasniowska M and Wiesendanger R;2011 Phys. Rev. B 84 113403
[29]	Eelbo T, Wasniowska M and Thakur P;2013 Phys. Rev. Lett. 110 136804
[30]	Hohenberg P and Kohn W;1964 Phys. Rev. B 136 864
[31]	Perdew J P, Burke K and Ernzerhof M;1996 Phys. Rev. Lett. 77 3865
[32]	Ceperley D M and Alder B J;1980 Phys. Rev. Lett. 45 566
[33]	Keldysh L V 1965 Sov. Phys. JETP 20 1018
[34]	Caroli C, Combescot R, Nozieres P and Saint J D;1971 J. Phys. C 4 916
[35]	Kondo H, Kino H, Nara J, Ozaki T and Ohno T;2006 Phys. Rev. B 73 235323
[36]	http://www.openmx-square.org/
[37]	Guo Y D, Yan X H and Xiao Y;2013 J. Appl. Phys. 113 244302
[38]	Choi H J, Ihm J, Louie S G and Cohen M L;2000 Phys. Rev. Lett. 84 2917
[39]	Fernández-Serra M V, Adessi C and Blase X;2006 Nano. Lett. 6 2674
[40]	Fernández-Serra M V, Adessi C and Blase X;2006 Phys. Rev. Lett. 96 166805
[41]	Li Z Y, Qian H Y, Wu J, Gu B L and Duan W H;2008 Phys. Rev. Lett. 100 206802

Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom

Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom

RichHTML

PDF (PC)

赞

可视化

摘要/Abstract

引用本文

使用本文

参考文献 41

相关文章 15

Metrics

本文评价

推荐阅读 0

[1]	Liping Zhang(张丽萍), Zuyu Xu(徐祖雨), Xiaojie Li(黎晓杰), Xu Zhang(张旭), Mingyang Qin(秦明阳), Ruozhou Zhang(张若舟), Juan Xu(徐娟), Wenxin Cheng(程文欣), Jie Yuan(袁洁), Huabing Wang(王华兵), Alejandro V. Silhanek, Beiyi Zhu(朱北沂), Jun Miao(苗君), and Kui Jin(金魁). Cascade excitation of vortex motion and reentrant superconductivity in flexible Nb thin films[J]. 中国物理B, 2023, 32(4): 47302-047302.
[2]	Wangwei Xu(许望伟), Shijie Sun(孙诗杰), Muzi Yang(杨慕紫), Zhenliang Hao(郝振亮), Lei Gao(高蕾), Jianchen Lu(卢建臣), Jiasen Zhu(朱嘉森), Jian Chen(陈建), and Jinming Cai(蔡金明). Polarization Raman spectra of graphene nanoribbons[J]. 中国物理B, 2023, 32(4): 46803-046803.
[3]	Minghui Qu(曲明慧), Jiayi He(贺家怡), Kexin Liu(刘可心), Liemao Cao(曹烈茂), Yipeng Zhao(赵宜鹏), Jing Zeng(曾晶), and Guanghui Zhou(周光辉). Device design based on the covalent homocouplingof porphine molecules[J]. 中国物理B, 2021, 30(9): 98504-098504.
[4]	Yun-Qi Zhao(赵蕴琦), Heng Zhang(张衡), Xiang-Bin Cai(蔡祥滨), Wei Guo(郭维), Dian-Xiang Ji(季殿祥), Ting-Ting Zhang(张婷婷), Zheng-Bin Gu(顾正彬), Jian Zhou(周健), Ye Zhu(朱叶), and Yue-Feng Nie(聂越峰). Epitaxial growth and transport properties of compressively-strained Ba₂IrO₄ films[J]. 中国物理B, 2021, 30(8): 87401-087401.
[5]	Huan Yang(杨欢), Yixuan Gao(高艺璇), Wenhui Niu(牛雯慧), Xiao Chang(常霄), Li Huang(黄立), Junzhi Liu(刘俊治), Yiyong Mai(麦亦勇), Xinliang Feng(冯新亮), Shixuan Du(杜世萱), and Hong-Jun Gao(高鸿钧). Fabrication of sulfur-doped cove-edged graphene nanoribbons on Au(111)[J]. 中国物理B, 2021, 30(7): 77306-077306.
[6]	Sheng-Hui Zhao(赵生辉), Wang-Hao Tian(田王昊), Xue-Lian Liang(梁雪连), Ze He(何泽), Pei Wang(王培), Lu Ji(季鲁), Ming He(何明), and Hua-Bing Wang(王华兵). Transport properties of Tl₂Ba₂CaCu₂O₈ microbridges on a low-angle step substrate[J]. 中国物理B, 2021, 30(6): 60308-060308.
[7]	伍义远, 朱雪良, 杨恒玉, 王志光, 李玉红, 王保田. First principles calculations on the thermoelectric properties of bulk Au₂S with ultra-low lattice thermal conductivity[J]. 中国物理B, 2020, 29(8): 87202-087202.
[8]	曾晶, 陈克求, 周艳红. Exploring how hydrogen at gold-sulfur interface affects spin transport in single-molecule junction[J]. 中国物理B, 2020, 29(8): 88503-088503.
[9]	吴德胜, 钱玉婷, 刘子懿, 吴伟, 李延杰, 那世航, 邵钰婷, 郑萍, 李岗, 程金光, 翁红明, 雒建林. Single crystal growth, structural and transport properties of bad metal RhSb₂[J]. 中国物理B, 2020, 29(3): 37101-037101.
[10]	李亚林, 龚裴, 房晓勇. Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles[J]. 中国物理B, 2020, 29(3): 37304-037304.
[11]	王彩云, 鲁爽, 于晓东, 李海鹏. Alkyl group functionalization-induced phonon thermal conductivity attenuation in graphene nanoribbons[J]. 中国物理B, 2019, 28(1): 16501-016501.
[12]	潘长宁, 龙孟秋, 何军. Modulated thermal transport for flexural and in-plane phonons in double-stub graphene nanoribbons[J]. 中国物理B, 2018, 27(8): 88101-088101.
[13]	朱珊娜, 史刚, 赵鹏, 孟德超, 梁根豪, 翟晓芳, 陆亚林, 李永庆, 陈岚, 吴克辉. Growth and transport properties of topological insulator Bi₂Se₃ thin film on a ferromagnetic insulating substrate[J]. 中国物理B, 2018, 27(7): 76801-076801.
[14]	庞正鹏, 王欣, 陈健, 杨盼, 张洋, 田永辉, 杨建红. Non-monotonic dependence of current upon i-width in silicon p-i-n diodes[J]. 中国物理B, 2018, 27(6): 66106-066106.
[15]	张旦, 白洪昌, 李志亮, 王江龙, 傅广生, 王淑芳. Multinary diamond-like chalcogenides for promising thermoelectric application[J]. 中国物理B, 2018, 27(4): 47206-047206.