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Edge reconstructions of graphene nanoribbons and their stable defective configurations were identified by experimental characterization. First principles calculations are performed to evaluate the effects of atomic edge arrangement on the electronic transport properties of zigzag graphene nanoribbons. It is found that these two defective edge structures affect effectively the high stable nanostructure configuration and give rise to pronounced modifications on electronic bands, leading to the shift of Fermi level as well as the occurrence of resonant energies. Both of these two atomic reconstructions would limit the electron transport around the Fermi level, and result in the complete resonant backscattering taking place at different locations. The suppression of conductance is not only related with increasing defect size, but more sensitive to the distribution of defect state, and the modifications on the electronic bands that are influenced by the edge reconstructions.
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Keywords:
- graphene nanoribbon /
- reconstruction /
- electronic structure /
- electron transport
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[20] Lei S L, Li B, Huang J, Li Q X, Yang J L 2013 Chinese Phys. Lett. 30 077502
[21] Xiao J, Yang Z X, Xie W T, Xiao L X, Xu H, OuYang F P 2012 Chin. Phys. B 21 027102
[22] Banhart F, Kotakoski J, Krasheninnikov A V 2011 ACS Nano 5 26
[23] Son Y W, Cohen M L, Louie S G 2006 Nature 444 347
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[27] Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
[28] Troullier N, Martins J L 1991 Phys. Rev. B 43 1993
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[30] Datta S 2005 Quantum Transport: Atom to Transistor (New York: Cambridge University Press) pp232-240
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[32] Brandbyge M, Mozos J L, Ordejón P, Taylor J, Stokbro K 2002 Phys. Rev. B 65 165401
[33] Stone A J, Wales D J 1986 Chem. Phys. Lett. 128 501
[34] Zeng H, Leburton J P, Hu H F, Wei J W 2011 Solid State Commun. 151 9
[35] Zeng H, Leburton J P, Xu Y, Wei J W 2011 Nanoscale Res. Lett. 6 254
[36] Topsakal M, Aktrk E, Sevincli H, Ciraci S 2008 Phys. Rev. B 78 235435
[37] Biel B, Blase X, Triozon F, Roche S 2009 Phys. Rev. Lett. 102 096803
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[1] Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V, Firsov A A 2004 Science 306 666
[2] Zhang Y B, Tan Y W, Stormer H L, Kim P 2005 Nature 438 201
[3] Castro Neto A H, Guinea F, Peres N M R, Novoselov K S, Geim A K 2009 Rev. Mod. Phys. 81 109
[4] Nakada K, Fujita M, Dresselhaus G, Dresselhaus M S 1996 Phys. Rev. B 54 17954
[5] Geim A K, Novoselov K S 2007 Nat. Mater. 6 183
[6] Geim A K 2009 Science 324 1530
[7] Dresselhaus M S, Jorio A, Hofmann M, Dresselhaus G, Saito R 2010 Nano. Lett. 10 751
[8] Enoki T, Kobayashi Y, Fukui K I 2007 Int. Rev. Phys. Chem. 26 609
[9] Girit C Ö, Meyer J C, Erni R, Rossell M D, Kisielowski C, Yang L, Park C H, Crommie M F, Cohen M L, Louie S G, Zettl A 2009 Science 323 1705
[10] Jia X, Hofmann M, Meunier V, Sumpter B G, Campos-Delgado J, Romo-Herrera J M, Son H, Hsieh Y P, Reina A, Kong J, Terrones M, Dresselhaus M S 2009 Science 323 1701
[11] Koskinen P, Malola S, Häkkinen H 2009 Phys. Rev. B 80 073401
[12] Koskinen P, Malola S, Häkkinen H 2008 Phys. Rev. Lett. 101 115502
[13] Dubois S M M, Lopez-Bezanilla A, Cresti A, Triozon F, Biel B, Charlier J C, Roche S 2010 ACS Nano 4 1971
[14] Zeng H, Zhao J, Wei J W 2011 Eur. Phys. J. Appl. Phys. 53 20602
[15] Wang X M, Liu H 2011 Acta Phys. Sin. 60 047102 (in Chinese)[王雪梅, 刘红 2011 60 047102]
[16] Krasheninnikov A V, Nordlund K 2010 J. Appl. Phys. 107 071301
[17] Meyer J C, Kisielowski C, Erni R, Rossell M D, Crommie M F, Zettl A 2008 Nano Lett. 8 3582
[18] Ren Y, Chen K Q 2010 J. Appl. Phys. 107 044514
[19] Wang Z Y, Hu H F, Gu L, Wang W, Jia J F 2011 Acta Phys. Sin. 60 017102 (in Chinese)[王志勇, 胡慧芳, 顾林, 王巍, 贾金凤 2011 60 017102]
[20] Lei S L, Li B, Huang J, Li Q X, Yang J L 2013 Chinese Phys. Lett. 30 077502
[21] Xiao J, Yang Z X, Xie W T, Xiao L X, Xu H, OuYang F P 2012 Chin. Phys. B 21 027102
[22] Banhart F, Kotakoski J, Krasheninnikov A V 2011 ACS Nano 5 26
[23] Son Y W, Cohen M L, Louie S G 2006 Nature 444 347
[24] Son Y W, Cohen M L, Louie S G 2006 Phys. Rev. Lett. 97 216803
[25] Ordejón P, Artacho E, Soler J M 1996 Phys. Rev. B 53 10441
[26] Soler J M, Artacho E, Gale J D, García A, Junquera J, Ordejón P, Portal D S 2002 J. Phys: Condens. Matter. 14 2745
[27] Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
[28] Troullier N, Martins J L 1991 Phys. Rev. B 43 1993
[29] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[30] Datta S 2005 Quantum Transport: Atom to Transistor (New York: Cambridge University Press) pp232-240
[31] Taylor J, Guo H, Wang J 2001 Phys. Rev. B 63 245407
[32] Brandbyge M, Mozos J L, Ordejón P, Taylor J, Stokbro K 2002 Phys. Rev. B 65 165401
[33] Stone A J, Wales D J 1986 Chem. Phys. Lett. 128 501
[34] Zeng H, Leburton J P, Hu H F, Wei J W 2011 Solid State Commun. 151 9
[35] Zeng H, Leburton J P, Xu Y, Wei J W 2011 Nanoscale Res. Lett. 6 254
[36] Topsakal M, Aktrk E, Sevincli H, Ciraci S 2008 Phys. Rev. B 78 235435
[37] Biel B, Blase X, Triozon F, Roche S 2009 Phys. Rev. Lett. 102 096803
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