Chinese Journal of Quantum Electronics, Volume. 34, Issue 1, 106(2017)
Influences of high electric field on electronic structure properties of NiO
The electronic structure properties of the cubic structure nickel oxide at high electric field intensity of 10 V·nm-1 are investigated based on plane wave density functional theory. Results show that the cubic nickel oxide exhibits conductor energy band structure at electric field intensity of 10 V·nm-1, the valance bands move up to conduction bands, and state density spectrum curves obtain peak values at several energies. The localization effect increases, and the state density near Fermi level increases to more than two times as much as that of the parent system. The carrier concentration at Fermi level increase from 4 e/eV to 15 e/eV,which is due to the contritution of Op, Nis, Nid state to Fermi surface. Electrons in a high electric field show an obvious transition between different quantum states, and the dielectric function calculation shows that the system has the maximum absorption with peak value of 66.89 at 0.32 eV under high electric field. The electrical, optical and field induced optical absorption properties of NiO are obviously controlled by highelectric field.
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LI Fansheng, YU Xiaoying, PENG Jinyun, FANG Hui, ZHANG Feipeng, Zhang Xin. Influences of high electric field on electronic structure properties of NiO[J]. Chinese Journal of Quantum Electronics, 2017, 34(1): 106
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Received: Dec. 31, 2015
Accepted: --
Published Online: Feb. 9, 2017
The Author Email: Fansheng LI (453291572@qq.com)