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Using the density-functional theory, the structural stability and the effect of in-plane electric field on the electronic structure of zigzag graphene nanoribbin (OH-ZGNR), which is terminated by hydroxyl, are explored. It is found that hydroxyl bonding on the ZGNR edge is much more stable than H-terminated ZGNR(H-ZGNRs). The ground state of the ZGNR is spin-polarized with a narrow energy gap. Furthermore, transition from semiconducting to metallic phase in ZGNR can be achieved if a proper in-plane electric field is applied across the edges OH-ZGNR.
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Keywords:
- graphene nanoribbon /
- density-functional theory /
- electric field
[1] Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V, Firov A A 2004 Science 306 666
[2] Zhang L J, Xia T 2010 Chin. Phys. B 19 11
[3] Hu H X, Zhang Z H, Liu X H, Qiu M, D K H 2009 Acta Phys. Sin. 58 7156 (in Chinese) [胡海鑫、张振华、刘新海、邱 明、丁开和 2009 58 7156]
[4] Luo T, Zhu W, Shi Q W, Wang X P 2008 Acta Phys. Sin. 57 3775 (in Chinese) [罗 涛、朱 伟、石勤伟、王晓平 2008 57 3775]
[5] Lee H, Son Y W, Park N, Han S, Yu J 2005 Phys. Rev. B 72 174431
[6] Jang B Z, Zhamu A 2008 Mater. Sci. 43 5092
[7] Sinitskii A, Dimiev A, Kosynkin D V, Tour J M 2010 ACS Nano. 4 5405
[8] Raza H, Kan E C 2008 Phys. Rev. B 77 245434
[9] Gunlycke D, Li J, Mintmire J W, White C T 2007 Appl. Phys. Lett. 91 112108
[10] Lee G, Cho K 2009 Phys. Rev. B 79 165440
[11] Hod O, Barone V, Peralta J E, Scuseria G E 2007 Nano. Lett. 7 2295
[12] Hod O, Peralta J E, Scuseria G E 2007 Phys. Rev. B 76 233401
[13] Kan E J, Li Z Y, Yang J L, Hou J G 2007 Appl. Phys. Lett. 91 243116
[14] Hod O, Barone V, Scuseria G E 2008 Phys. Rev. B 77 035411
[15] Soriano D, Rojas F M, Rossier J F, Palacios J J 2010 Phys. Rev. B 81 165409
[16] Zeng M G, Shen L, Cai Y Q, Sha Z D, Feng Y P 2010 Appl. Phys. Lett. 96 042104
[17] Tada K, Watanabe K 2002 Phys. Rev. Lett. 88 127601
[18] Chun Wang, Liang Qiao, Chaoqun Qu, Weitao Zheng, Qing Jiang 2009 J. Phys. Chem. C 113 812
[19] Son Y W, Cohen M L, Louie S 2006 Nature 444 347
[20] Lee Y L, Kim S, Park C, Ihm J, Son Y W 2010 Acsnano 4 1345
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[1] Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V, Firov A A 2004 Science 306 666
[2] Zhang L J, Xia T 2010 Chin. Phys. B 19 11
[3] Hu H X, Zhang Z H, Liu X H, Qiu M, D K H 2009 Acta Phys. Sin. 58 7156 (in Chinese) [胡海鑫、张振华、刘新海、邱 明、丁开和 2009 58 7156]
[4] Luo T, Zhu W, Shi Q W, Wang X P 2008 Acta Phys. Sin. 57 3775 (in Chinese) [罗 涛、朱 伟、石勤伟、王晓平 2008 57 3775]
[5] Lee H, Son Y W, Park N, Han S, Yu J 2005 Phys. Rev. B 72 174431
[6] Jang B Z, Zhamu A 2008 Mater. Sci. 43 5092
[7] Sinitskii A, Dimiev A, Kosynkin D V, Tour J M 2010 ACS Nano. 4 5405
[8] Raza H, Kan E C 2008 Phys. Rev. B 77 245434
[9] Gunlycke D, Li J, Mintmire J W, White C T 2007 Appl. Phys. Lett. 91 112108
[10] Lee G, Cho K 2009 Phys. Rev. B 79 165440
[11] Hod O, Barone V, Peralta J E, Scuseria G E 2007 Nano. Lett. 7 2295
[12] Hod O, Peralta J E, Scuseria G E 2007 Phys. Rev. B 76 233401
[13] Kan E J, Li Z Y, Yang J L, Hou J G 2007 Appl. Phys. Lett. 91 243116
[14] Hod O, Barone V, Scuseria G E 2008 Phys. Rev. B 77 035411
[15] Soriano D, Rojas F M, Rossier J F, Palacios J J 2010 Phys. Rev. B 81 165409
[16] Zeng M G, Shen L, Cai Y Q, Sha Z D, Feng Y P 2010 Appl. Phys. Lett. 96 042104
[17] Tada K, Watanabe K 2002 Phys. Rev. Lett. 88 127601
[18] Chun Wang, Liang Qiao, Chaoqun Qu, Weitao Zheng, Qing Jiang 2009 J. Phys. Chem. C 113 812
[19] Son Y W, Cohen M L, Louie S 2006 Nature 444 347
[20] Lee Y L, Kim S, Park C, Ihm J, Son Y W 2010 Acsnano 4 1345
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