Abstract
Hexagonal boron nitride (h-BN) monolayer is an isostructural analogue to graphene and promising dielectric. Inspired by recent experimental reports, we focus on suspended and corrugated boron nitride nanoribbons (BNRs) as model systems, and report an intriguing flexoelectric polar effect using a series of ab initio-based density functional theory and tight binding calculations. Our results decode various synergies of the complex flexoelectrical properties including the role of corrugation height, structural deformation, and orbital mixing in corrugated BNRs. We demonstrate structural deformation of BNRs significantly contribute to the magnitude of electric dipole moment and bandgap closing, converting the insulating BNRs to semiconductors. This important finding, combined with the fundamental insights into the nature of electromechanical coupling, provides key hypotheses for design and modulation of novel nanoelectronic and nanophotonic devices.
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References
R.B. Meyer, Phys. Rev. Lett. 22, 918 (1969).
P.G. Gennes and J. Prost, The Physics of Liquid Crystals (Oxford: Clarendon Press, 1993).
A.K. Tagantsev, Phys. Rev. B 34, 5883 (1986).
N.D. Sharma, R. Maranganti, and P. Sharma, J. Mech. Phys. Solids 55, 2328 (2007).
E.J. Mele and P. Král, Phys. Rev. Lett. 88, 056803 (2002).
S.M. Nakhmanson, A. Calzolari, V. Meunier, J. Bernholc, and M. Buongiorno Nardelli, Phys. Rev. B 67, 235406 (2003).
N. Sai and E.J. Mele, Phys. Rev. B 68, 241405(R) (2003).
S.H. Mir, S. Chakraborty, P.C. Jha, J. Warna, H. Soni, P.K. Jha, and R. Ahuja, Appl. Phy. Lett. 109, 053903 (2016).
M.J. Rand and J.F. Roberts, J. Electrochem. Soc. 115, 423 (1968).
J. Lan, J.-S. Wang, C.-K. Gan, and S.-K. Chin, Phys. Rev. B 79, 115401 (2009).
K. Miyoshi, D.H. Buckley, J.J. Pouch, S.A. Alterovitz, and H.E. Sliney, Surf. Coat. Technol. 33, 221 (1987).
G. Leichtfried, 13.5 Properties of Diamond and Cubic Boron Nitride. P. Beiss, Landolt-Börnstein—Group VIII Advanced Materials and Technologies: Powder Metallurgy Data. Refractory, Hard and Intermetallic Materials. 2A2 (Springer, Berlin, 2002), pp. 118–139. https://doi.org/10.1007/b83029, ISBN:978-3-540-42961-6.
J. Yu, Z. Zheng, H.C. Ong, K.Y. Wong, S. Matsumoto, and W.M. Lau, Phys. Chem. B 110, 21073 (2006).
R. Shahsavari, ACS Appl. Mater. Interfaces 10, 2203 (2018).
P.K. Jha and R.H. Soni, Appl. Phys. 115, 023509 (2014).
H. Zeng, C. Zhi, Z. Zhang, X. Wei, X. Wang, W. Guo, Y. Bando, and D. Golberg, Nano Lett. 10, 5049 (2010).
B. Roondhe, K. Prafulla, and P.K. Jha, J. Mater. Chem. B 6, 6796 (2018).
B. Roondhe, S.D. Dabhi, and P.K. Jha, Appl. Surf. Sci. 441, 588 (2018).
A. Lopez-Bezanilla, J. Huang, H. Terrones, and G. Bobby, Nano Lett. 11, 3267 (2011).
Z. Zhang and W. Guo, Phys. Rev. B 77, 075403 (2008).
C.H. Park and S.G. Louie, Nano Lett. 8, 2200 (2008).
J. Qi, X. Qian, L. Qi, J. Feng, D. Shi, and J. Li, Nano Lett. 12, 1224 (2012).
J.M. Pruneda, Phys. Rev. B 81, 161409 (2010).
S. Dutta, A.K. Manna, and S.K. Pati, Phys. Rev. Lett. 102, 096601 (2009).
X. Fan, Z. Shen, A.Q. Liu, and J.-L. Kuo, Nanoscale 4, 2157 (2012).
Z. Zhang, W. Guoa, and B.I. Yakobson, Nanoscale 5, 6381 (2013).
L. Song, L. Ci, H. Lu, P.B. Sorokin, C. Jin, J. Ni, A.G. Kvashnin, D.G. Kvashnin, J. Lou, B.I. Yakobson, and P.M. Ajayan, Nano Lett. 10, 3209 (2010).
J. Wang, F. Ma, and M. Sun, RSC Adv. 7, 16801 (2017).
H. Zheng, Z.F. Wang, T. Luo, Q.W. Shi, and J. Chen, Phys. Rev. B 75, 165414 (2007).
K. Zhao, M. Zhao, Z. Wang, and Y. Fan, Physica E 43, 440 (2010).
R.M. Ribeiro and N.M.R. Peres, Phys. Rev. B 83, 235312 (2011).
G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).
G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996).
P.E. Blochl, Phys. Rev. B 50, 17953 (1994).
J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
F. Shayeganfar, J. Beheshtian, and R. Shahsavari, Langmuir 34, 11176 (2018).
E.N. Economou, Green’s Functions in Quantum Physics, 3rd ed. (Heidelberg: Springer, 2006).
H. Mousavi and J. Khodadadi, Appl. Phys. A 122, 14 (2016).
Acknowledgments
RS and FS acknowledge the financial support from the National Science Foundation (1709051). The supercomputer machines utilized in this work were supported in part by NIH award NCRR S10RR02950 and an IBM Shared University Research (SUR).
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Shayeganfar, F., Torkashvand, Z., Mirabbaszadeh, K. et al. Flexoelectric Effects in Corrugated Boron Nitride Nanoribbons. J. Electron. Mater. 48, 4515–4523 (2019). https://doi.org/10.1007/s11664-019-07225-3
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DOI: https://doi.org/10.1007/s11664-019-07225-3