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石墨烯因其独特的化学成键结构而拥有出色的化学、热学、机械、电学、光学特性.由于石墨烯为零带隙材料，限制了其在纳电子学领域的发展.因此，为了拓宽石墨烯的应用范围，研究打开石墨烯带隙的方法显得尤为重要.本文构建了本征石墨烯、N掺杂石墨烯、B掺杂石墨烯三种模型，研究了本征石墨烯和不同掺杂浓度下的N/B掺杂石墨烯的能带结构、电子态密度及光学与电学性质，包括吸收谱、反射谱、折射率、电导率和介电函数等.研究结果显示：1）本征石墨烯费米能级附近的电子态主要是由C-2p轨道形成，而N/B掺杂石墨烯费米能级附近的电子态主要是由C-2p和N-2p/B-2p轨道杂化形成；2）N/B掺杂可以引起石墨烯费米能级、光学与电学性质的改变，且使狄拉克锥消失，进而打开石墨烯带隙；3）N/B掺杂可以引起石墨烯光学和电学性质的变化，且对吸收谱、反射谱、折射率、介电函数影响较大，而对电导率影响较小.本文的结论可为石墨烯在光电子器件中的应用提供理论依据.
[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] Andrei K G, Konstantin S N 2007 Nat. Mater. 6 183
[3] Wang H, Nezich D, Kong J, Palacios T 2009 IEEE Electron Dev. Lett. 30 547
[4] Jin Q, Dong H M, Han K, Wang X F 2015 Acta Phys. Sin. 64 237801 (in Chinese)[金芹, 董海明, 韩奎, 王雪峰2015物理学报 64 237801]
[5] Grigorenko A N, Polini M, Novoselov K S 2012 Nat. Photon. 6 749
[6] Dragoman M, Neculoiu D, Dragoman D, Deligeorgis G, Konstantinidis G, Cismaru A, Coccetti F, Plana R 2010 IEEE Microw. Mag. 11 81
[7] Wang X F, Chakraborty T 2007 Phys. Rev. B 75 033408
[8] Feng W, Zhang R, Cao J C 2015 Acta Phys. Sin. 64 229501 (in Chinese)[冯伟, 张戎, 曹俊诚2015物理学报 64 229501]
[9] Wang Y, Shao Y Y, Matson D W, Li J H, Lin Y H 2010 Acs Nano 4 1790
[10] Chang H X, Wu H K 2013 Adv. Funct. Mater. 23 1984
[11] Long M S, Liu E F, Wang P, Gao A Y, Xia H, Luo W, Wang B G, Zeng J W, Fu Y J, Xu K, Zhou W, L Y Y, Yao S H, Lu M H, Chen Y F, Ni Z H, You Y M, Zhang X A, Qin S Q, Shi Y, Hu W D, Xing D Y, Miao F 2016 Nano Lett. 16 2254
[12] Miao J S, Hu W D, Guo N, Lu Z Y, Liu X Q, Liao L, Chen P P, Jiang T, Wu S W, Ho J C, Wang L, Chen X H, Lu W 2015 Small 11 936
[13] Wang H B, Zhang C J, Liu Z H, Wang L, Han P X, Xu H X, Zhang K J, Dong S M, Yao J H, Cui G L 2011 J. Mater. Chem. 21 5430
[14] Zhou X, Chen J, Gu L, Miao L 2015 Chin. Phys. Lett. 32 026102
[15] Schwierz F 2013 Proc. IEEE 101 1567
[16] Rana F 2008 IEEE Trans. Nanotechnol. 7 91
[17] Gui G, Li J, Zhong J X 2008 Phys. Rev. B 78 075435
[18] Hwang E H, Sarma S D, Otsuji T 2007 Phys. Rev. B 75 205418
[19] Ryzhii V 2006 Jpn. J. Appl. Phys. 45 923
[20] Ristein J 2006 Science 313 1057
[21] Oostinga J B, Heersche H B, Liu X L, Morpurgo A F, Vandersypen L M K 2008 Nat. Mater. 7 151
[22] Cordero N A, Alonso J A 2007 Nanotechnology 18 485705
[23] Tsetseris L, Pantelides S T 2012 Phys. Rev. B 85 155446
[24] Oh J S, Kim K N, Yeom G Y 2014 J. Nanosci. Nanotechnol. 14 1120
[25] Cai P, Wang H P, Yu G 2016 Prog. Phys. 36 121(in Chinese)[蔡乐, 王华平, 于贵2016物理学进展 36 121]
[26] Leenaerts O, Partoens B, Peeters F M 2009 Phys. Rev. B 79 235440
[27] Schedin F, Geim A K, Morozov S V, Hill E W, Blake P B, Katsnelson M I, Novoselov K S 2007 Nat. Mater. 6 652
[28] Pinto H, Markevich A 2014 Beilstein J. Nanotechnol. 5 1842
[29] Dong X C, Fu D L, Fang W J, Shi Y M, Chen P, Li L J 2009 Small 5 1422
[30] Liu H T, Liu Y Q, Zhu D B 2011 Mater. Chem. 21 3335
[31] Goharshadi E K, Mahdizadeh S J 2015 J. Mol. Graph. Model. 62 74
[32] Rybin M, Pereyaslavtsev A, Vasilieva T, Myasnikov V, Sokolov I, Pavlova A, Obraztsova E, Khomich A, Ralchenko V, Obraztsova E 2016 Carbon 96 196
[33] Panchakarla L S, Subrahmanyam K S, Saha S K, Govindaraj A, Krishnamurthy H R, Waghmare U V, Rao C N R 2009 Adv. Mater. 21 4726
[34] Niu L Y, Li Z P, Hong W, Sun J F, Wang Z F, Ma L M, Wang J Q, Yang S R 2013 Electrochim. Acta 108 666
[35] Sheng Z H, Gao H L, Bao W J, Wang F B, Xia X H 2012 Mater. Chem. 22 390
[36] Lin Y C, Lin C Y, Chiu P W 2010 Appl. Phys. Lett. 96 133110
[37] Wang X R, Li X, Zhang L, Yoon Y, Weber P K, Wang H L, Guo J, Dai H J 2009 Science 324 768
[38] Castro N A H, Guinea F, Peres N M R, Novoselov K S, Geim A K 2009 Rev. Mod. Phys 81 109
[39] Yin W H, Han Q, Yang X H 2012 Acta Phys. Sin. 61 248502 (in Chinese)[尹伟红, 韩琴, 杨晓红2012物理学报 61 248502]
[40] Mariani E, Glazman L I, Kamenev A, Oppen F 2007 Phys. Rev. B 76 165402
[41] Gmitra M, Konschuh S, Ertler C, Ambrosch D C, Fabian J 2009 Phys. Rev. B 80 235431
[42] Pinto H, Markevich A 2014 Beilstein J. Nanotechnol. 5 1842
[43] Zhao C J 2011 M. S. Thesis (Xian:Xidian University) (in Chinese)[赵朝军2011硕士学位论文(西安:西安电子科技大学)]
[44] Wei D C, Liu Y Q, Wang Y, Zhang H L, Huang L P, Yu G 2009 Nano Lett. 9 1752
[45] Du S J 2012 M. S. Thesis (Chongqing:Chongqing University) (in Chinese)[杜声玖2012硕士学位论文(重庆:重庆大学)]
[46] Ehrenreich H, Cohen M H 1959 Phys. Rev. 115 786
[47] Toll J S 1956 Phys. Rev. 104 1760
[48] Fox A M 2001 Optical Properties of Solids 3(Oxford:Oxford University Press) pp9-92
[49] Katsnelson M 2007 Mater. Today 10 20
-
[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] Andrei K G, Konstantin S N 2007 Nat. Mater. 6 183
[3] Wang H, Nezich D, Kong J, Palacios T 2009 IEEE Electron Dev. Lett. 30 547
[4] Jin Q, Dong H M, Han K, Wang X F 2015 Acta Phys. Sin. 64 237801 (in Chinese)[金芹, 董海明, 韩奎, 王雪峰2015物理学报 64 237801]
[5] Grigorenko A N, Polini M, Novoselov K S 2012 Nat. Photon. 6 749
[6] Dragoman M, Neculoiu D, Dragoman D, Deligeorgis G, Konstantinidis G, Cismaru A, Coccetti F, Plana R 2010 IEEE Microw. Mag. 11 81
[7] Wang X F, Chakraborty T 2007 Phys. Rev. B 75 033408
[8] Feng W, Zhang R, Cao J C 2015 Acta Phys. Sin. 64 229501 (in Chinese)[冯伟, 张戎, 曹俊诚2015物理学报 64 229501]
[9] Wang Y, Shao Y Y, Matson D W, Li J H, Lin Y H 2010 Acs Nano 4 1790
[10] Chang H X, Wu H K 2013 Adv. Funct. Mater. 23 1984
[11] Long M S, Liu E F, Wang P, Gao A Y, Xia H, Luo W, Wang B G, Zeng J W, Fu Y J, Xu K, Zhou W, L Y Y, Yao S H, Lu M H, Chen Y F, Ni Z H, You Y M, Zhang X A, Qin S Q, Shi Y, Hu W D, Xing D Y, Miao F 2016 Nano Lett. 16 2254
[12] Miao J S, Hu W D, Guo N, Lu Z Y, Liu X Q, Liao L, Chen P P, Jiang T, Wu S W, Ho J C, Wang L, Chen X H, Lu W 2015 Small 11 936
[13] Wang H B, Zhang C J, Liu Z H, Wang L, Han P X, Xu H X, Zhang K J, Dong S M, Yao J H, Cui G L 2011 J. Mater. Chem. 21 5430
[14] Zhou X, Chen J, Gu L, Miao L 2015 Chin. Phys. Lett. 32 026102
[15] Schwierz F 2013 Proc. IEEE 101 1567
[16] Rana F 2008 IEEE Trans. Nanotechnol. 7 91
[17] Gui G, Li J, Zhong J X 2008 Phys. Rev. B 78 075435
[18] Hwang E H, Sarma S D, Otsuji T 2007 Phys. Rev. B 75 205418
[19] Ryzhii V 2006 Jpn. J. Appl. Phys. 45 923
[20] Ristein J 2006 Science 313 1057
[21] Oostinga J B, Heersche H B, Liu X L, Morpurgo A F, Vandersypen L M K 2008 Nat. Mater. 7 151
[22] Cordero N A, Alonso J A 2007 Nanotechnology 18 485705
[23] Tsetseris L, Pantelides S T 2012 Phys. Rev. B 85 155446
[24] Oh J S, Kim K N, Yeom G Y 2014 J. Nanosci. Nanotechnol. 14 1120
[25] Cai P, Wang H P, Yu G 2016 Prog. Phys. 36 121(in Chinese)[蔡乐, 王华平, 于贵2016物理学进展 36 121]
[26] Leenaerts O, Partoens B, Peeters F M 2009 Phys. Rev. B 79 235440
[27] Schedin F, Geim A K, Morozov S V, Hill E W, Blake P B, Katsnelson M I, Novoselov K S 2007 Nat. Mater. 6 652
[28] Pinto H, Markevich A 2014 Beilstein J. Nanotechnol. 5 1842
[29] Dong X C, Fu D L, Fang W J, Shi Y M, Chen P, Li L J 2009 Small 5 1422
[30] Liu H T, Liu Y Q, Zhu D B 2011 Mater. Chem. 21 3335
[31] Goharshadi E K, Mahdizadeh S J 2015 J. Mol. Graph. Model. 62 74
[32] Rybin M, Pereyaslavtsev A, Vasilieva T, Myasnikov V, Sokolov I, Pavlova A, Obraztsova E, Khomich A, Ralchenko V, Obraztsova E 2016 Carbon 96 196
[33] Panchakarla L S, Subrahmanyam K S, Saha S K, Govindaraj A, Krishnamurthy H R, Waghmare U V, Rao C N R 2009 Adv. Mater. 21 4726
[34] Niu L Y, Li Z P, Hong W, Sun J F, Wang Z F, Ma L M, Wang J Q, Yang S R 2013 Electrochim. Acta 108 666
[35] Sheng Z H, Gao H L, Bao W J, Wang F B, Xia X H 2012 Mater. Chem. 22 390
[36] Lin Y C, Lin C Y, Chiu P W 2010 Appl. Phys. Lett. 96 133110
[37] Wang X R, Li X, Zhang L, Yoon Y, Weber P K, Wang H L, Guo J, Dai H J 2009 Science 324 768
[38] Castro N A H, Guinea F, Peres N M R, Novoselov K S, Geim A K 2009 Rev. Mod. Phys 81 109
[39] Yin W H, Han Q, Yang X H 2012 Acta Phys. Sin. 61 248502 (in Chinese)[尹伟红, 韩琴, 杨晓红2012物理学报 61 248502]
[40] Mariani E, Glazman L I, Kamenev A, Oppen F 2007 Phys. Rev. B 76 165402
[41] Gmitra M, Konschuh S, Ertler C, Ambrosch D C, Fabian J 2009 Phys. Rev. B 80 235431
[42] Pinto H, Markevich A 2014 Beilstein J. Nanotechnol. 5 1842
[43] Zhao C J 2011 M. S. Thesis (Xian:Xidian University) (in Chinese)[赵朝军2011硕士学位论文(西安:西安电子科技大学)]
[44] Wei D C, Liu Y Q, Wang Y, Zhang H L, Huang L P, Yu G 2009 Nano Lett. 9 1752
[45] Du S J 2012 M. S. Thesis (Chongqing:Chongqing University) (in Chinese)[杜声玖2012硕士学位论文(重庆:重庆大学)]
[46] Ehrenreich H, Cohen M H 1959 Phys. Rev. 115 786
[47] Toll J S 1956 Phys. Rev. 104 1760
[48] Fox A M 2001 Optical Properties of Solids 3(Oxford:Oxford University Press) pp9-92
[49] Katsnelson M 2007 Mater. Today 10 20
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