Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom

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

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.

Keywords: graphene nanoribbon transport properties iron adatom

Received: 19 April 2015
Revised: 11 June 2015
Accepted manuscript online:

PACS:	72.80.Vp	(Electronic transport in graphene)
	72.25.-b	(Spin polarized transport)
	73.20.Hb	(Impurity and defect levels; energy states of adsorbed species)

Fund: 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).

Corresponding Authors: Xiao Yang
E-mail: fryxiao@nuaa.edu.cn

Cite this article:

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 2015 Chin. Phys. B 24 117204

[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

[1]	Polarization Raman spectra of graphene nanoribbons 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). Chin. Phys. B, 2023, 32(4): 046803.
[2]	Cascade excitation of vortex motion and reentrant superconductivity in flexible Nb thin films 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). Chin. Phys. B, 2023, 32(4): 047302.
[3]	Device design based on the covalent homocouplingof porphine molecules 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). Chin. Phys. B, 2021, 30(9): 098504.
[4]	Epitaxial growth and transport properties of compressively-strained Ba₂IrO₄ films 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). Chin. Phys. B, 2021, 30(8): 087401.
[5]	Fabrication of sulfur-doped cove-edged graphene nanoribbons on Au(111) 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). Chin. Phys. B, 2021, 30(7): 077306.
[6]	Transport properties of Tl₂Ba₂CaCu₂O₈ microbridges on a low-angle step substrate 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). Chin. Phys. B, 2021, 30(6): 060308.
[7]	Enhanced thermoelectric properties in two-dimensional monolayer Si₂BN by adsorbing halogen atoms Cheng-Wei Wu(吴成伟), Changqing Xiang(向长青), Hengyu Yang(杨恒玉), Wu-Xing Zhou(周五星), Guofeng Xie(谢国锋), Baoli Ou(欧宝立), and Dan Wu(伍丹). Chin. Phys. B, 2021, 30(3): 037304.
[8]	Transport property of inhomogeneous strained graphene Bing-Lan Wu(吴冰兰), Qiang Wei(魏强), Zhi-Qiang Zhang(张智强), and Hua Jiang(江华). Chin. Phys. B, 2021, 30(3): 030504.
[9]	First principles calculations on the thermoelectric properties of bulk Au₂S with ultra-low lattice thermal conductivity Y Y Wu(伍义远), X L Zhu(朱雪良), H Y Yang(杨恒玉), Z G Wang(王志光), Y H Li(李玉红), B T Wang(王保田). Chin. Phys. B, 2020, 29(8): 087202.
[10]	Exploring how hydrogen at gold-sulfur interface affects spin transport in single-molecule junction Jing Zeng(曾晶), Ke-Qiu Chen(陈克求), Yanhong Zhou(周艳红). Chin. Phys. B, 2020, 29(8): 088503.
[11]	Single crystal growth, structural and transport properties of bad metal RhSb₂ D S Wu(吴德胜), Y T Qian(钱玉婷), Z Y Liu(刘子懿), W Wu(吴伟), Y J Li(李延杰), S H Na(那世航), Y T Shao(邵钰婷), P Zheng(郑萍), G Li(李岗), J G Cheng(程金光), H M Weng(翁红明), J L Luo(雒建林). Chin. Phys. B, 2020, 29(3): 037101.
[12]	Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles Ya-Lin Li(李亚林), Pei Gong(龚裴), Xiao-Yong Fang(房晓勇). Chin. Phys. B, 2020, 29(3): 037304.
[13]	Different noncollinear magnetizations on two edges of zigzag graphene nanoribbons Yang Xiao(肖杨), Qiaoli Ye(叶巧利), Jintao Liang(梁锦涛), Xiaohong Yan(颜晓红), and Ying Zhang(张影). Chin. Phys. B, 2020, 29(12): 127201.
[14]	Alkyl group functionalization-induced phonon thermal conductivity attenuation in graphene nanoribbons Caiyun Wang(王彩云), Shuang Lu(鲁爽), Xiaodong Yu(于晓东), Haipeng Li(李海鹏). Chin. Phys. B, 2019, 28(1): 016501.
[15]	Modulated thermal transport for flexural and in-plane phonons in double-stub graphene nanoribbons Chang-Ning Pan(潘长宁), Meng-Qiu Long(龙孟秋), Jun He(何军). Chin. Phys. B, 2018, 27(8): 088101.

No Suggested Reading articles found!

Viewed

Full text

Abstract

Cited

Metrics
Related Articles

Transport properties of zigzag graphene nanoribbons adsorbed with single iron atom

Cite this article:

Online attention