运用第一性原理的密度泛函理论,结合非平衡格林函数,研究了边缘裁剪对Zigzag石墨纳米带(ZGNRs)的电子结构与输运性能的影响.计算结果表明,对Zigzag石墨纳米带边缘的裁剪显著影响了体系的电子输运性能.其中,边缘裁剪使得金属型石墨纳米带的能隙打开,而且随着结构中的Zigzag边缘长度减少,能隙逐渐增大,使得体系由金属型向半导体型转变;同时,边缘裁剪使Zigzag金属型石墨烯纳米带的输运性能降低,电流-电压呈非线性变化,尤其对于M3体系而言,边缘的裁剪使体系表现出很好的开关特性.
参考文献
| [1] | Morozov SV;Novoselov KS;Katsnelson MI;Schedin F;Elias DC;Jaszczak JA;Geim AK .Giant intrinsic carrier mobilities in graphene and its bilayer[J].Physical review letters,2008(1):016602-1-016602-4-0. |
| [2] | Takagi Y et al.Electronic structure modulation of graphene by metal electrodes[J].Japanese Journal of Applied Physics,2012,51(8R):085102. |
| [3] | Novikov D S .Numbers of donors and acceptors from transport measurements in grapheme[J].Applied Physics Letters,2007,91:102102. |
| [4] | Novoselov K S;Geim A K;Morozov S V et al.Electric field effect in atomically thin carbon films[J].Science,2004,306(5696):666. |
| [5] | Zhang Y B;Tan Y W;Stormer H L et al.Experimental observation of the quantum Hall effect and Berry's phase in grapheme[J].Nature,2005,438:201. |
| [6] | Castro Neto, AH;Guinea, F;Peres, NMR;Novoselov, KS;Geim, AK .The electronic properties of graphene[J].Reviews of Modern Physics,2009(1):109-162. |
| [7] | Jorge O. Sofo;Ajay S. Chaudhari;Greg D. Barber .Graphane: A two-dimensional hydrocarbon[J].Physical review, B. Condensed matter and materials physics,2007(15):153401.1-153401.4. |
| [8] | Sahin H;Ataca C;Ciraci S .Electronic and magnetic properties of graphane nanoribbons[J].Physical Review B:Condensed Matter,2010,81:205417. |
| [9] | Hod O;Barone V;Peralta JE;Scuseria GE .Enhanced half-metallicity in edge-oxidized zigzag graphene nanoribbons[J].Nano letters,2007(8):2295-2299. |
| [10] | Kan EJ;Li ZY;Yang JL;Hou JG .Half-metallicity in edge-modified zigzag graphene nanoribbons[J].Journal of the American Chemical Society,2008(13):4224-4225. |
| [11] | Cervantes-Sodi F;Csanyi G;Piscanec S;Ferrari AC .Edge-functionalized and substitutionally doped graphene nanoribbons: Electronic and spin properties[J].Physical review, B. Condensed matter and materials physics,2008(16):165427-1-165427-13-0. |
| [12] | 李兴鳌,王博琳,刘忠儒.石墨烯的制备、表征与特性研究进展[J].材料导报,2012(01):61-65. |
| [13] | 刘源,姚洁,陈驰,缪灵†,江建军.氢修饰石墨烯纳米带压电性质的第一性原理研究[J].物理学报,2013(06):137-142. |
| [14] | Li X;Wang X;Zhang L;Lee S;Dai H .Chemically derived, ultrasmooth graphene nanoribbon semiconductors.[J].Science,2008(5867):1229-1232. |
| [15] | Wang X R;Ouyang Y J;Li X L et al.Room-temperature all-semiconducting sub-10-nm graphene nanoribbon fieldeffect transistors[J].Physical Review Letters,2008,100:206803. |
| [16] | Grosse, K.L.;Bae, M.-H.;Lian, F.;Pop, E.;King, W.P. .Nanoscale Joule heating, Peltier cooling and current crowding at graphene-metal contacts[J].Nature nanotechnology,2011(5):287-290. |
| [17] | Merchant, C.A.;Healy, K.;Wanunu, M.;Ray, V.;Peterman, N.;Bartel, J.;Fischbein, M.D.;Venta, K.;Luo, Z.;Johnson, A.T.C.;Drndi?, M. .DNA translocation through graphene nanopores[J].Nano letters,2010(8):2915-2921. |
| [18] | K. S. Novoselov;D. Jiang;F. Schedin;T. J. Booth;V. V. Khotkevich;S. V. Morozov;A. K. Geim .Two-dimensional atomic crystals[J].Proceedings of the National Academy of Sciences of the United States of America,2005(30):10451-10453. |
| [19] | Li TC;Lu SP .Quantum conductance of graphene nanoribbons with edge defects[J].Physical review, B. Condensed matter and materials physics,2008(8):085408-1-085408-8-0. |
| [20] | Mazzamuto F;Saint-Martin J;Valentin A et al.Edge shape effect on vibrational modes in graphene nanoribbons:A numerical study[J].Journal of Applied Physics,2011,109:064516. |
| [21] | Zheng HX;Wang ZF;Luo T;Shi QW;Chen J .Analytical study of electronic structure in armchair graphene nanoribbons[J].Physical review, B. Condensed matter and materials physics,2007(16):5414-1-5414-6-0. |
| [22] | Ozaki T;Nishio K;Weng H Kino H .Dual spin filter effect in a zigzag graphene nanoribbon[J].Physical Review B:Condensed Matter,2010,81:075422. |
| [23] | Dai Z X;Zheng X H;Shi X Q et al.Effects of the contact geometry on transport properties of Si4 cluster[J].Physical Review B:Condensed Matter,2005,72:205408. |
| [24] | Pickard C J;Payne M C .Second-order k @ p perturbation theory with Vanderbilt pseudopotentials and plane waves[J].Physical Review B:Condensed Matter,2000,62(07):4383. |
上一张
下一张
上一张
下一张
计量
- 下载量()
- 访问量()
文章评分
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%