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Effect of the Electric Field on the Electronic and Optical Properties of the Bilayer Graphene, Bilayer Boron Nitride and Graphene/Boron Nitride | ||
| فیزیک کاربردی ایران | ||
| Article 3, Volume 9, Issue 1 - Serial Number 16, April 2019, Pages 27-41 PDF (6.68 M) | ||
| Document Type: Research Paper | ||
| DOI: 10.22051/jap.2020.28102.1133 | ||
| Authors | ||
| Mohammad Hasani* 1; Raad Chegel2 | ||
| 1Department of Physics, Faculty of Science, University of Malayer, Malayer, Iran | ||
| 2Faculty member, Department of Physics, University of Malayer | ||
| Abstract | ||
| In this study, we have investigated the effect of the external electric field on the electronic and optical properties of the AB stacked bilayer graphene, bilayer boron nitride and bilayer graphene/boron nitride utilizing the DFT. The results have shown that in the presence of the external electric field, the electronic properties of all structures have been changed and their energy gaps are tunable in this way. Exerting the electric field on the bilayer graphene structure, its energy dispersion relation is changed and the parabolic shape of the bands at the K-point is changed to a new form called the "Mexican Hat". The presence of an electric field of magnitude 1 V/Ang increases the energy band gap of this structure and ultimately reaches 0.28 eV. However, exerting field and increasing its intensity reduced the energy band gap of the boron nitride bilayer, such that in the presence of a field of intensity 3.5 V/Ang, the energy band gap decreases by 88% and reaching about 0.53 eV. Also, we see the semiconductor-metal transition for this structure in the presence of stronger fields. Due to exerting the field, the band gap of the graphene/boron nitride bilayer increased with less intensity and the bands maintains their parabolic shape in the K point. Finally, the effect of electric field on the optical diagrams of these structures is investigated. Applying the external electric field on these structures changes the magnitude and location of the optical diagram peaks. To investigate this, we have applied only the perpendicular polarization. As a consequence of the presence of an external electric field, an increase in the static dielectric function is visible for all three structures. It is also observed that the application of the electric field also affects the plasmonic behavior of the systems. | ||
| Keywords | ||
| Graphene; Boron Nitride; Electric Field; Gap Modulation; Dielectric Function | ||
| References | ||
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[1] Zhao, Z., and Qiu, J., "Graphene: Synthesis, Properties, and Applications," Carbon Nanomaterials, pp. 16-61: CRC Press, 2013. [2] Choi, W., Lahiri, I., Seelaboyina, R., and Kang, Y. S. Synthesis of Graphene and Its Applications: A Review. Critical Reviews in Solid State and Materials Sciences. 35. 52-71, 2010. [3] Falkovsky, L., "Optical Properties of Graphene." p. 012004. [4] Chegel, R. Influence of Bias on the Electronic Structure and Electrical Conductivity and Heat Capacity of Graphene and Boron Nitride Multilayers. Synthetic Metals. 223. 172-183, 2017. [5] Tang, S., Wu, W., Xie, X., Li, X., and Gu, J. Band Gap Opening of Bilayer Graphene by Graphene Oxide Support Doping. RSC Advances. 7. 9862-9871, 2017. [6] Guo, Y., Guo, W., and Chen, C. Tuning Field-Induced Energy Gap of Bilayer Graphene Via Interlayer Spacing. Applied Physics Letters. 92, p. 243101, 2008. [7] Mohan, B., Kumar, A., and Ahluwalia, P. A First Principle Study of Interband Transitions and Electron Energy Loss in Mono and Bilayer Graphene: Effect of External Electric Field. Physica E: Low-dimensional Systems and Nanostructures. 44. 1670-1674, 2012. [8] Tao, W., Qing, G., Yan, L., and Kuang, S. A Comparative Investigation of an Ab-and Aa-Stacked Bilayer Graphene Sheet under an Applied Electric Field: A Density Functional Theory Study. Chinese Physics B. 21, p. 067301, 2012. [9] Wang, R.-N., Dong, G.-Y., Wang, S.-F., Fu, G.-S., and Wang, J.-L. Intra-and Inter-Layer Charge Redistribution in Biased Bilayer Graphene. AIP Advances. 6, p. 035213, 2016. [10] Ho, Y., Wu, J., Chiu, Y., Wang, J., and Lin, M. Electronic and Optical Properties of Monolayer and Bilayer Graphene. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 368. 5445-5458, 2010. [11] Meshginqalam, B., Jameil, A. K., Ahmadi, M. T., and Centeno, A. Investigation on Optical and Electrical Properties of Bilayer Graphene. DIYALA JOURNAL OF ENGINEERING SCIENCES. 8. 538-545, 2015. [12] Ribeiro, R., and Peres, N. Stability of Boron Nitride Bilayers: Ground-State Energies, Interlayer Distances, and Tight-Binding Description. Physical Review B. 83, p. 235312, 2011. [13] Giovannetti, G., Khomyakov, P. A., Brocks, G., Kelly, P. J., and Van Den Brink, J. Substrate-Induced Band Gap in Graphene on Hexagonal Boron Nitride: Ab Initio Density Functional Calculations. Physical Review B. 76, p. 073103, 2007. [14] Balu, R., Zhong, X., Pandey, R., and Karna, S. P. Effect of Electric Field on the Band Structure of Graphene/Boron Nitride and Boron Nitride/Boron Nitride Bilayers. Applied Physics Letters. 100, p. 052104, 2012. [15] Zhong, X., Yap, Y. K., Pandey, R., and Karna, S. P. First-Principles Study of Strain-Induced Modulation of Energy Gaps of Graphene/Bn and Bn Bilayers. Physical Review B. 83, p. 193403, 2011. [16] Tang, K., Ni, Z., Liu, Q., Quhe, R., Zheng, Q., Zheng, J., Fei, R., Gao, Z., and Lu, J. Electronic and Transport Properties of a Biased Multilayer Hexagonal Boron Nitride. The European Physical Journal B. 85, p. 301, 2012. [17] Yang, Z., and Ni, J. Modulation of Electronic Properties of Hexagonal Boron Nitride Bilayers by an Electric Field: A First Principles Study. Journal of Applied Physics. 107, p. 104301, 2010. [18] Sławińska, J., Zasada, I., and Klusek, Z. Energy Gap Tuning in Graphene on Hexagonal Boron Nitride Bilayer System. Physical Review B. 81, p. 155433, 2010. [19] Lin, X., Xu, Y., Hakro, A. A., Hasan, T., Hao, R., Zhang, B., and Chen, H. Ab Initio Optical Study of Graphene on Hexagonal Boron Nitride and Fluorographene Substrates. Journal of Materials Chemistry C. 1. 1618-1627, 2013. [20] Yan, J., Jacobsen, K. W., and Thygesen, K. S. Optical Properties of Bulk Semiconductors and Graphene/Boron Nitride: The Bethe-Salpeter Equation with Derivative Discontinuity-Corrected Density Functional Energies. Physical Review B. 86, p. 045208, 2012. [21] Behzad, S. Monolayer Boron Nitride Substrate Interactions with Graphene under in-Plane and Perpendicular Strains: A First-Principles Study. Journal of Electronic Materials. 47. 2209-2214, 2018. [22] Soler, J. M., Artacho, E., Gale, J. D., García, A., Junquera, J., Ordejón, P., and Sánchez-Portal, D. The Siesta Method for Ab Initio Order-N Materials Simulation. Journal of Physics: Condensed Matter. 14, p. 2745, 2002. [23] Jones, R. O., and Gunnarsson, O. The Density Functional Formalism, Its Applications and Prospects. Reviews of Modern Physics. 61, p. 689, 1989. [24] Grossman, J. C., Mitas, L., and Raghavachari, K. Structure and Stability of Molecular Carbon: Importance of Electron Correlation. Physical review letters. 75, p. 3870, 1995. [25] Zupan, A., Blaha, P., Schwarz, K., and Perdew, J. P. Pressure-Induced Phase Transitions in Solid Si, Sio 2, and Fe: Performance of Local-Spin-Density and Generalized-Gradient-Approximation Density Functionals. Physical Review B. 58, p. 11266, 1998. [26] Farooq, M. U., Hashmi, A., and Hong, J. Thickness Dependent Optical Properties of Multilayer Bn/Graphene/Bn. Surface Science. 634. 25-30, 2015. [27] Guo, G., Chu, K., Wang, D.-s., and Duan, C.-g. Linear and Nonlinear Optical Properties of Carbon Nanotubes from First-Principles Calculations. Physical Review B. 69, p. 205416, 2004. [28] Ashcroft, N. W., and Mermin, N. D., "Solid State Physics [by] Neil W. Ashcroft [and] N. David Mermin," New York: Holt, Rinehart and Winston, 1976. | ||
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