Abstract
The magnetic properties of the h-BN monolayer with nonmetal atoms are studied by ab initio methods. Different dopants (C, Cl, F, and O) and doping sites are considered. Magnetic behavior is observed in the twodimensional (2D) BN system with C, Cl, and O atoms. On the other hand, the O adsorbed system shows a more stable formed structure among above three magnetic materials, we study the ferromagnetic (FM) interaction in 2D-BN system with two O adatoms. Interestingly, as the O–O distance increases, the interaction between two O adatoms prefers to a long-range FM coupling. This phenomenon could be well described by a simple Heisenberg model.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, and A. A. Firsov, Science (Washington, DC, U. S.) 306, 666 (2004).
A. K. Geim and K. S. Novoselov, Nat. Mater. 6, 183 (2007).
A. H. Castro Neto, F. Guinea, N. M. R. Peres, K. S. Novoselov, and A. K. Geim, Rev. Mod. Phys. 81, 109 (2009).
K. F. Mak, C. Lee, J. Hone, J. Shan, and T. F. Heinz, Phys. Rev. Lett. 105, 136805 (2010).
B. Radisavljevic, A. Radenovic, J. Brivio, V. Giacometti, and A. Kis, Nat. Nanotechnol. 6, 147 (2011).
S. Rodin, A. A. Carvalho, and A. H. Castro Neto, Phys. Rev. Lett. 112, 176801 (2014).
T. Low, A. S. Rodin, A. Carvalho, Y. Jiang, H. Wang, F. Xia, and A. H. Castro Neto, Phys. Rev. B 90, 075434 (2014).
R. Fei, A. Faghaninia, R. Soklaski, J.-A. Yan, C. Lo, and L. Yang, Nano Lett. 14, 6393 (2014).
A. Ramasubramaniam and A. R. Muniz, Phys. Rev. B 90, 085424 (2014).
M. Xu, T. Liang, M. Shi, and H. Chen, Chem. Rev. 113, 3766 (2013).
B. Huang and H. Lee, Phys. Rev. B 86, 245406 (2012).
Y. Lin and J. W. Connell, Nanoscale 4, 6908 (2012).
B. Ouyang and J. Song, Appl. Phys. Lett. 103, 102401 (2013).
Z. G. Yu, Y. W. Zhang, and B. I. Yakobson, Nano Lett. 15, 6855 (2015).
W. Yang, J. Shang, J. Wang, X. Shen, B. Cao, N. Peimyoo, C. Zou, Y. Chen, Y. Wang, C. Cong, W. Huang, and T. Yu, Nano Lett. 16, 1560 (2016).
W. J. Liang, J. F. Jia, J. Lv, and H. S. Wu, Phys. Lett. A 379, 1715 (2015).
J. G. Casiano, L. C. Ortega, R. Espitia, and J. Miguel, J. Magn. Magn. Mater. 402, 156 (2016).
F. Aguilera-Granja, R. H. Aguilera-del-Toro, A. Vega, and L. C. Balbas, J. Phys. Chem. A 118, 2976 (2014).
M. Dadsetani, B. Kianisadr, and H. Nejatipour, J. Phys. Chem. A 44, 2699 (2015).
J. Liu, Z. H. Zhang, P. F. Yuan, and Z. Q. Fan, Phys. Chem. Chem. Phys. 19, 4469 (2017).
G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).
J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).
T. Dietl, H. Ohno, F. Matsukura, J. Cibert, and D. Ferrand, Science 287, 1019 (2000).
L. Liu, P. Y. Yu, Z. Ma, and S. S. Mao, Phys. Rev. Lett. 100, 127203 (2008).
D. Kitchen, A. Richardella, J. M. Tang, M. E. Flatte, and A. Yazdani, Nature (London, U.K.) 442, 436 (2006).
K. Sato, L. Bergqvist, J. Kudrnovský, P. H. Dederichs, O. Eriksson, I. Turek, B. Sanyal, G. Bouzerar, H. Katayama-Yoshida, V. A. Dinh, T. Fukushima, H. Kizaki, and R. Zeller, Rev. Mod. Phys. 82, 1633 (2010).
A. Ramasubramaniam and D. Naveh, Phys. Rev. B 87, 195201 (2013).
Author information
Authors and Affiliations
Corresponding author
Additional information
The article is published in the original.
Rights and permissions
About this article
Cite this article
Luo, M., Yin, H.H. & Chu, J.H. Magnetic and Electronic Properties of h-BN Nanosheets with Nonmetal Atoms Adsorbed: an Ab Initio Study. Jetp Lett. 107, 163–167 (2018). https://doi.org/10.1134/S0021364018030013
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S0021364018030013