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The transport properties of zigzag graphene nanoribbons (ZGNRs) with different patterns of vacancies are investigated by using the density functional theory and nonequilibrium Green's function (NEGF) formalism. It is found that the transport properties vary with lattice type vacancy. For two vacancies, A-B type vacancies have the most significant influence on the conductance of ZGNRs, while A-A type vacancies have the most slightly influence on the conductance. More importantly, the pattern of vacancies has enormous influence on electron transport around the Femi energy. As hexagon carbons are removed, the ZGNRs will be modified, changing from metallic to semiconducting. This lays the theoretical foundation for tuning the electron properties of ZGNRs by patterning vacancies.
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Keywords:
- ZGNR /
- vacancy patterns /
- transport property /
- modification
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[62] Wang X M, Liu H 2011 Acta Phys. Sin. 60 047102 [王雪梅, 刘红 2011 物理学报 60 047102]
[63] -
[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] Li X L, Wang X R, Zhang L, Lee S, Dai H 2008 Science 319 1229
[3] [4] Wang X R, Ouyang Y J, Li X L, Wang H L, Guo J, Dai H 2008 Phys. Rev. Lett. 100 206803
[5] [6] Lin Y M, Dimitrakopoulos C, Jenkins K A, Farmer D B, Chiu H Y, Grill A, Avouris Ph 2010 Science 327 662
[7] [8] Grosse K L, Bae M H, Lian F, Pop E, King W P 2011 Nature Nanotechnology 6 287
[9] [10] [11] Schedin F, Geim A K, Morozov S V, Hill E W, Blake P, Katsnelson M I, Novoselov K S 2007 Nat. Mater. 6 652
[12] Merchant C A, Healy K, Wanunu M, Ray V, Peterman N, Bartel J, Fischbein M D, Venta K, Luo Z T, Johnson A T C, Drndic M 2010 Nano Lett. 10 3163
[13] [14] Garaj S, Hubbard W, Reina A, Kong J, Branton D, Golovchenko J A 2010 Nature 467 190
[15] [16] Wang X, Zhi L J, Mllen K 2008 Nano Lett. 8 323
[17] [18] Miler J R, Outlaw R A, Holloway B C 2010 Science 329 1637
[19] [20] [21] Wu Y Q, Lin Y M, Bol A A, Jenkins K A, Xia F N, Farmer D B, Zhu Y, Avouris P 2011 Nature 472 74
[22] [23] Son Y W, Cohen M L, Louie S G 2006 Nature (London) 444 347
[24] Son Y W, Cohen M L, Louie S G 2006 Phys. Rev. Lett. 97 216803
[25] [26] [27] Masubuchi S, Ono M, Yoshida K, Hirakawa K, Machida 2009 Phys. Rev. Lett. 94 082107
[28] [29] Han M Y, Ozyilmaz B, Zhang Y, Kim Ph 2007 Phys. Rev. Lett. 98 206805
[30] Tapaszto L, Dobrik G, Lambin Ph, Biro L P 2008 Nat Nanotechnol 3 397
[31] [32] [33] Ponomarenko L A, Schedin F, Katsnelson M I, Yang R, Hill E W, Novoselov K S, Geim A K 2008 Science 320 356
[34] [35] Pan H J, Xu M, Chen L, Sun Y Y, Wang Y L 2010 Acta Phys. Sin. 59 6443 [潘洪哲, 徐明, 陈丽, 孙媛媛, 王永龙 2010 物理学报 59 6443]
[36] Ma L, Tan Z P. Tan C L, Liu G T, Yang C L, Lv L 2011 Acta Phys. Sin. 60 107302 [马丽, 谭振兵, 谭长玲, 刘广同, 杨昌黎, 吕力 2011 物理学报 60 107302]
[37] [38] Elias D C, Nair R R, Mohiuddin T M G., Morozov S V, Blake P, Halsall M P, Ferrari A C, Boukhvalov D W, Katsnelson M I, Geim A K, Novoselov K S 2009 Science 323 610
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[44] Li X, Wang X, Zhang L, Lee S, Dai H 2008 Science 319 1229
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[52] [53] Hod O, Barone V, Peralta J E, Scuseria G E 2007 Nano. Lett. 7 2295
[54] [55] Kan E J, Li Z, Yang J, Hou J G 2008 J. Am. Chem. Soc. 130 4224
[56] [57] Cervantes-Sodi F, Csanyi G, Piscanec S, Ferrari A C 2008 Phys. Rev. B 77 165427
[58] [59] Son Y W, Cohen M L, Louie S G 2006 Nature 444 347
[60] [61] KimW Y, Kim K S 2008 Nat. Nanotechnol. 3 408
[62] Wang X M, Liu H 2011 Acta Phys. Sin. 60 047102 [王雪梅, 刘红 2011 物理学报 60 047102]
[63]
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