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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Electronic structures and transport properties of fluorinated boron nitride nanoribbons
Jing Zeng1, Ke-Qiu Chen, Chang Q Sun
1Department of Applied Physics and Key Laboratory for Micro-Nano Optoelectronic Devices of Ministry of Education, Hunan University, Changsha 410082, China.
Abstract:
By applying the nonequilibrium Green's functions and the density-functional theory, we investigate the electronic structures and transport properties of fluorinated zigzag-edged boron nitride nanoribbons. The results show that the transition between half-metal and semiconductor in zigzag-edged boron nitride nanoribbons can be realized by fluorination at different sites or by the change of the fluorination level. Moreover, the negative differential resistance and varistor-type behaviors can also be observed in such fluorinated zigzag-edged boron nitride nanoribbon devices. Therefore, the fluorination of zigzag-edged boron nitride nanoribbons will provide the possibilities for a multifunctional molecular device design.
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