Abstract
The electronic structure and optical properties of boron-doped, sulfur-doped, and boron-sulfur-codoped graphene systems have been studied by using first-principles calculations. Energy band structure and density of states are presented to describe the electronic properties. The doping can open the band gap and change the optical properties of graphene. For all optical properties of doped graphene systems, parallel (E ∥) polarization and perpendicular (E ⊥) polarization are presented. The optical properties under two kinds of polarizations are reflected in the range of peak height and the change of some extraordinary features.
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A.H. Castro-Neto, F. Guinea, N.M.R. Peres, K.S. Novoselov, A.K. Geim, Rev. Mod. Phys. 81, 109 (2009)
C. Riedl, U. Starke, J. Bernhardt, M. Franke, K. Heinz, Phys. Rev. B 76, 245406 (2007)
E. Hwang, S. Adam, S. Das Sarma, Phys. Rev. Lett. 98, 186806 (2007)
T. Kuila, S. Bose, A.K. Mishra, P. Khanra, N.H. Kim, J.H. Lee, Prog. Mater. Sci. 57, 1061 (2012)
M.I. Katsnelson, Mater. Today 10, 20 (2007)
N. Levy, S.A. Burke, K.L. Meaker, M. Panlasigui, A. Zettl, F. Guinea, A.H.C. Neto, M.F. Crommie, Science 329, 544 (2010)
N.O. Weiss et al., Adv. Mater. 24, 5782 (2012)
A.K. Geim, K.S. Novoselov, Nat. Mater. 6, 183 (2007)
F. Xia, D.B. Farmer, Y.M. Lin, P. Avouris, Nano Lett. 10, 715 (2010)
D.R. Kauffman, A. Star, Analyst 135, 2790 (2010)
L.T. Qu, Y. Liu, J.B. Baek, L.M. Dai, ACS Nano 4, 1321 (2010)
L.L. Zhang, R. Zhou, X.S. Zhao, J. Mater. Chem. 20, 5983 (2010)
X. Wang, X. Li, L. Zhang, Y. Yoon, P.K. Weber, H. Wang, Science 324, 768 (2009)
T.B. Martins, R.H. Miwa, A.J.R. da Silva, A. Fazzio, Phys. Rev. Lett. 98, 196803 (2007)
L. Ci, L. Song, C. Jin, D. Jariwala, D. Wu, Y. Li, A. Srivastava, Z.F. Wang, K. Storr, L. Balicas, F. Liu, P.M. Ajayan, Nat. Mater. 9, 430 (2010)
M. Woiska, Phys. Stat. Sol. C 1171, 1167 (2013)
P. Rani, V.K. Jindal, RSC Adv. 3, 802 (2013)
A.L.E. Garcia, S.E. Baltazar, A.H. Romero, J.F. Perez Robles, A. Rubio, J. Comput. Theor. Nanosci. 5, 1 (2008)
R.B. Pontes, A. Fazzio, G.M. Dalpian, Phys. Rev. B 79, 033412 (2009)
G. Kresse, J. Hafner, Phys. Rev. B 47, 558 (1993)
G. Kresse, J. Hafner, Phys. Rev. B 49, 14251 (1994)
G. Kresse, J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996)
G. Kresse, J. Furthmuller, Phys. Rev. B 54, 11169 (1996)
G. Kresse, D. Joubert, Phys. Rev. B 59, 1758 (1999)
P. Blöchl, Phys. Rev. B 50, 17953 (1994)
J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976)
J. Cai, P. Ruffieux, R. Jaafar, M. Bieri, T. Braun, S. Blankenburg, M. Muoth, A.P. Seitsonen, M. Saleh, X. Feng, K. Müllen, R. Fasel, Nature 466, 470 (2010)
S. Mukherjee, T.P. Kaloni, J. Nanopart. Res. 14, 1059 (2012)
A.L.E. Garcia, S.E. Baltazar, A.H. Romero, J.F. Perez Robles, A. Rubio, J. Comput. Theor. Nanosci. 5, 1 (2008)
P. Nath, S. Chowdhury, D. Sanyal, D. Jana, Carbon 73, 275 (2014)
T. Eberlein, U. Bangert, R.R. Nair, R. Jones, M. Gass, A.L. Bleloch, Phys. Rev. B 77, 233406 (2008)
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Huang, C., Han, L., Wu, L. et al. Electronic structure and optical properties of boron-sulfur symmetric codoping in 4 × 4 graphene systems. Eur. Phys. J. B 88, 147 (2015). https://doi.org/10.1140/epjb/e2015-60064-y
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DOI: https://doi.org/10.1140/epjb/e2015-60064-y