Effects of Position and Shape of Atomic Defects on the Band Gap of Graphene Nano Ribbon Superlattices
In this work, we study the behavior of introducing
atomic size vacancy in a graphene nanoribbon superlattice. Our
investigations are based on the density functional theory (DFT) with
the Local Density Approximation in Atomistix Toolkit (ATK). We
show that, in addition to its shape, the position of vacancy has a
major impact on the electrical properties of a graphene nanoribbon
superlattice. We show that the band gap of an armchair graphene
nanoribbon may be tuned by introducing an appropriate periodic
pattern of vacancies. The band gap changes in a zig-zag manner
similar to the variation of band gap of a graphene nanoribbon by
changing its width.
[1] K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V.
Dubonos, I.V. Grigorieva, A.A. Firsov, “Electric Field Effect in
Atomically Thin Carbon Films,” in Science, 306, 2004, pp. 666-669.
[2] P. G. Silvestrov and K. B. Efetov, “Quantum dots in graphene,” in Phys.
Rev. Lett. 98, 2007, pp. 016802.
[3] A. DeMartino, L. Dell’Anna, and R. Egger, “Magnetic Confinement of
Massless Dirac Fermions in Graphene,” in Phys. Rev. Lett. 98, 2007, pp.
066802.
[4] H. Y. Chen, V. Apalkov, and T. Chakraborty, “Fock-Darwin States of
Dirac Electrons in Graphene-Based Artificial Atoms,” in Phys. Rev.
Lett. 98, 2007, pp. 186803.
[5] M. I. Katsnelson, K. S. Novoselov, A. K. Geim, “Klein Tunneling in
Graphene,” in Nature Physics 2, 2006, pp. 620 – 625.
[6] D. Unluer, F. Tseng, A. Ghosh, M. Stan, “Monolithically patterned
wide-narrow-wide all-graphene devices,” in Nanotechnology, IEEE
Transactions on, 10, 2011, pp. 931- 939.
[7] X. Wang, Y. Ouyang, X. Li, H. Wang, J. Guo, H. Dai, “Room-
Temperature All-Semiconducting Sub-10-nm Graphene Nanoribbon
Field-Effect Transistors,” in Physical Review Letters, 100, 2008, pp.
206803.
[8] Jingwei Bai, Yu Huang, “Fabrication and electrical properties of
graphene nanoribbons,” in Materials Science and Engineering R 70,
2010, pp. 341–353.
[9] Yun-Sok Shin, Jong Yeog Son, Moon-Ho Jo, Young-Han Shin, Hyun
Myung Jang, “High-Mobility Graphene Nanoribbons Prepared Using
Polystyrene Dip-Pen Nanolithography,” in J. Am. Chem. Soc., 133,
2011, pp. 5623–5625.
[10] Timothy H. Vo, Mikhail Shekhirev, Donna A. Kunkel, Martha D.
Morton, Eric Berglund, Lingmei Kong, Peter M. Wilson, Peter A.
Dowben, Axel Enders, Alexander Sinitskii, “Large-scale solution
synthesis of narrow graphene nanoribbons,” in Nature Communications,
5, 2014, pp. 3189.
[11] Kyung Tae Kim, Jae Woong Jung, Won Ho Jo, “Synthesis of graphene
nanoribbons with various widths and its application to thin-film
transistor,” in Carbon, 63, 2013, pp. 202–209.
[12] B. Biel, X. Blase, F. Triozon, S. Roche, “Anomalous Doping Effects on
Charge Transport in Graphene Nanoribbons,” in Physical Review
Letters, 102, 2009, pp. 096803.
[13] B. Huang, Q. Yan, G. Zhou, J. Wu, B.L. Gu, W. Duan, F. Liu, “Making
a field effect transistor on a single graphene nanoribbon by selective
doping,” in Applied Physics Letters, 91, 2007, pp. 253122.
[14] Y.W. Son, M.L. Cohen, S.G. Louie, “Half-metallic graphene
nanoribbons,” in Nature, 444, 2006, pp. 347-349.
[15] N. Ferralis, R. Maboudian, C. Carraro, “Evidence of structural strain in
epitaxial graphene layers on 6H-SiC (0001),” in Physical Review
Letters, 101, 2008, pp. 156801.
[16] M. Teague, A. Lai, J. Velasco, C. Hughes, A. Beyer, M. Bockrath, C.
Lau, N.C. Yeh, “Evidence for strain-induced local conductance modulations in single-layer graphene on SiO2,” Nano letters, 9, 2009,
pp. 2542-2546.
[17] M. Topsakal, S. Cahangirov, S. Ciraci, “The response of mechanical and
electronic properties of graphane to the elastic strain,” in Applied
Physics Letters, 96, 2010, 091912.
[18] Y. Gao, P. Hao, “Mechanical properties of monolayer graphene under
tensile and compressive loading,” Physica E: Low-dimensional Systems
and Nanostructures, 41, 2009, pp. 1561-1566.
[19] M.R. Moslemi, M.H. Sheikhi, K. Saghafi, M.K. Moravej-Farshi,
“Electronic properties of a dual-gated GNR-FET under uniaxial tensile
strain,” in Microelectronics Reliability, 52, 2012, pp. 2579.
[20] T. G. Pedersen, C. Flindt, J. Pedersen, N. A. Mortensen, A.-P. Jauho,
and K. Pedersen, “Graphene Antidot Lattices: Designed Defects and
Spin Qubits,” in Phys. Rev. Lett. 100, 2008, pp. 136804.
[21] L. Rosales, M. Pacheco, Z. Barticevic, A. León, A. Latge, P. A.
Orellana, “Transport properties of antidot superlattices of graphene
nanoribbons,” in Phys. Rev. B. 80, 2009, pp. 073402.
[22] Jing-Jing Chen, Han-Chun Wu, Da-Peng Yuab, Zhi-Min Liao,
“Magnetic moments in graphene with vacancies,” in Nanoscale, 15,
2014.
[23] Yamada Y, Murota K, Fujita R, Kim J, Watanabe A, Nakamura M, Sato
S, Hata K, Ercius P, Ciston J, Song CY, Kim K, Regan W, Gannett W,
Zettl A, “Subnanometer vacancy defects introduced on graphene by
oxygen,” in J. Am. Chem. Soc., 2014, pp. 2232-5.
[24] G.D. Lee, C.Z. Wang, E. Yoon, N.M. Hwang, D.Y. Kim, K.M. Ho,
“Diffusion, Coalescence, and Reconstruction of Vacancy Defects in
Graphene Layer,” in Phys. Rev. Lett. 95, 2005, pp. 205501.
[25] H. Zhang, M. Zhao, X. Yang, H. Xia, X. Liu, Y. Xia, “Diffusion and
coalescence of vacancies and interstitials in graphite: A first-principles
study,” in Diamond and Related Materials, 19, 2010, pp. 1240-1244.
[1] K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V.
Dubonos, I.V. Grigorieva, A.A. Firsov, “Electric Field Effect in
Atomically Thin Carbon Films,” in Science, 306, 2004, pp. 666-669.
[2] P. G. Silvestrov and K. B. Efetov, “Quantum dots in graphene,” in Phys.
Rev. Lett. 98, 2007, pp. 016802.
[3] A. DeMartino, L. Dell’Anna, and R. Egger, “Magnetic Confinement of
Massless Dirac Fermions in Graphene,” in Phys. Rev. Lett. 98, 2007, pp.
066802.
[4] H. Y. Chen, V. Apalkov, and T. Chakraborty, “Fock-Darwin States of
Dirac Electrons in Graphene-Based Artificial Atoms,” in Phys. Rev.
Lett. 98, 2007, pp. 186803.
[5] M. I. Katsnelson, K. S. Novoselov, A. K. Geim, “Klein Tunneling in
Graphene,” in Nature Physics 2, 2006, pp. 620 – 625.
[6] D. Unluer, F. Tseng, A. Ghosh, M. Stan, “Monolithically patterned
wide-narrow-wide all-graphene devices,” in Nanotechnology, IEEE
Transactions on, 10, 2011, pp. 931- 939.
[7] X. Wang, Y. Ouyang, X. Li, H. Wang, J. Guo, H. Dai, “Room-
Temperature All-Semiconducting Sub-10-nm Graphene Nanoribbon
Field-Effect Transistors,” in Physical Review Letters, 100, 2008, pp.
206803.
[8] Jingwei Bai, Yu Huang, “Fabrication and electrical properties of
graphene nanoribbons,” in Materials Science and Engineering R 70,
2010, pp. 341–353.
[9] Yun-Sok Shin, Jong Yeog Son, Moon-Ho Jo, Young-Han Shin, Hyun
Myung Jang, “High-Mobility Graphene Nanoribbons Prepared Using
Polystyrene Dip-Pen Nanolithography,” in J. Am. Chem. Soc., 133,
2011, pp. 5623–5625.
[10] Timothy H. Vo, Mikhail Shekhirev, Donna A. Kunkel, Martha D.
Morton, Eric Berglund, Lingmei Kong, Peter M. Wilson, Peter A.
Dowben, Axel Enders, Alexander Sinitskii, “Large-scale solution
synthesis of narrow graphene nanoribbons,” in Nature Communications,
5, 2014, pp. 3189.
[11] Kyung Tae Kim, Jae Woong Jung, Won Ho Jo, “Synthesis of graphene
nanoribbons with various widths and its application to thin-film
transistor,” in Carbon, 63, 2013, pp. 202–209.
[12] B. Biel, X. Blase, F. Triozon, S. Roche, “Anomalous Doping Effects on
Charge Transport in Graphene Nanoribbons,” in Physical Review
Letters, 102, 2009, pp. 096803.
[13] B. Huang, Q. Yan, G. Zhou, J. Wu, B.L. Gu, W. Duan, F. Liu, “Making
a field effect transistor on a single graphene nanoribbon by selective
doping,” in Applied Physics Letters, 91, 2007, pp. 253122.
[14] Y.W. Son, M.L. Cohen, S.G. Louie, “Half-metallic graphene
nanoribbons,” in Nature, 444, 2006, pp. 347-349.
[15] N. Ferralis, R. Maboudian, C. Carraro, “Evidence of structural strain in
epitaxial graphene layers on 6H-SiC (0001),” in Physical Review
Letters, 101, 2008, pp. 156801.
[16] M. Teague, A. Lai, J. Velasco, C. Hughes, A. Beyer, M. Bockrath, C.
Lau, N.C. Yeh, “Evidence for strain-induced local conductance modulations in single-layer graphene on SiO2,” Nano letters, 9, 2009,
pp. 2542-2546.
[17] M. Topsakal, S. Cahangirov, S. Ciraci, “The response of mechanical and
electronic properties of graphane to the elastic strain,” in Applied
Physics Letters, 96, 2010, 091912.
[18] Y. Gao, P. Hao, “Mechanical properties of monolayer graphene under
tensile and compressive loading,” Physica E: Low-dimensional Systems
and Nanostructures, 41, 2009, pp. 1561-1566.
[19] M.R. Moslemi, M.H. Sheikhi, K. Saghafi, M.K. Moravej-Farshi,
“Electronic properties of a dual-gated GNR-FET under uniaxial tensile
strain,” in Microelectronics Reliability, 52, 2012, pp. 2579.
[20] T. G. Pedersen, C. Flindt, J. Pedersen, N. A. Mortensen, A.-P. Jauho,
and K. Pedersen, “Graphene Antidot Lattices: Designed Defects and
Spin Qubits,” in Phys. Rev. Lett. 100, 2008, pp. 136804.
[21] L. Rosales, M. Pacheco, Z. Barticevic, A. León, A. Latge, P. A.
Orellana, “Transport properties of antidot superlattices of graphene
nanoribbons,” in Phys. Rev. B. 80, 2009, pp. 073402.
[22] Jing-Jing Chen, Han-Chun Wu, Da-Peng Yuab, Zhi-Min Liao,
“Magnetic moments in graphene with vacancies,” in Nanoscale, 15,
2014.
[23] Yamada Y, Murota K, Fujita R, Kim J, Watanabe A, Nakamura M, Sato
S, Hata K, Ercius P, Ciston J, Song CY, Kim K, Regan W, Gannett W,
Zettl A, “Subnanometer vacancy defects introduced on graphene by
oxygen,” in J. Am. Chem. Soc., 2014, pp. 2232-5.
[24] G.D. Lee, C.Z. Wang, E. Yoon, N.M. Hwang, D.Y. Kim, K.M. Ho,
“Diffusion, Coalescence, and Reconstruction of Vacancy Defects in
Graphene Layer,” in Phys. Rev. Lett. 95, 2005, pp. 205501.
[25] H. Zhang, M. Zhao, X. Yang, H. Xia, X. Liu, Y. Xia, “Diffusion and
coalescence of vacancies and interstitials in graphite: A first-principles
study,” in Diamond and Related Materials, 19, 2010, pp. 1240-1244.
@article{"International Journal of Electrical, Electronic and Communication Sciences:69007", author = "Zeinab Jokar and Mohammad Reza Moslemi", title = "Effects of Position and Shape of Atomic Defects on the Band Gap of Graphene Nano Ribbon Superlattices", abstract = "In this work, we study the behavior of introducing
atomic size vacancy in a graphene nanoribbon superlattice. Our
investigations are based on the density functional theory (DFT) with
the Local Density Approximation in Atomistix Toolkit (ATK). We
show that, in addition to its shape, the position of vacancy has a
major impact on the electrical properties of a graphene nanoribbon
superlattice. We show that the band gap of an armchair graphene
nanoribbon may be tuned by introducing an appropriate periodic
pattern of vacancies. The band gap changes in a zig-zag manner
similar to the variation of band gap of a graphene nanoribbon by
changing its width.
", keywords = "Antidot, Atomistix ToolKit, Superlattice, Vacancy.", volume = "9", number = "2", pages = "162-5", }
