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Quantum-mechanical understanding on structure dependence of image potentials of single-walled boron nitride nanotubes

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Quantum-mechanical understanding on structure dependence of image potentials of single-walled boron nitride nanotubes
The recent discovery of field emission devices based on one-dimensional nanostructures has attracted much interest in emerging applications on next-generation flat panel displays,molecule-based sensors,and so forth.To achieve a compre-hensive understanding of surface potentials at the nano-emitters during the tunneling process,in this study we systematically investigated the image potentials of single-walled boron nitride nanotubes with different edges,diameters and lengths in the frame of a composite first-principles calculation.The image potentials of zigzag single-walled boron nitride nanotubes are found to be dependent on the non-equivalent sides.Only the image potentials of isolated armchair single-walled boron nitride nanotube can be well fitted with the image potential of an ideal metal sphere of a size comparable to the tube diame-ter.On the contrary,the image potentials of zigzag and grounded armchair single-walled boron nitride nanotubes exhibit a strong length-dependence characteristic and are significantly different from that of an ideal metal sphere,which originates from the significant axial symmetry breaking of induced charge at the tip for the long tube.The correlation between the testing electron and electronic structure of single-walled boron nitride nanotube has also been discussed.

boron nitride nanotubesquantum chemistryimage potentialsstructure dependence

张煜、张芷蔓、王伟良、张绍林、黄海鸣

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Solid State Physics & Material Research Laboratory,School of Physics and Materials Science,Guangzhou University,Guangzhou 510006,China

Research Center for Advanced Information Materials(CAIM),Huangpu Research and Graduate School of Guangzhou University,Guangzhou 510555,China

School of Physics,Guangdong Province Key Laboratory of Display Material and Technology,Center for Neutron Science and Technology,Sun Yat-sen University,Guangzhou 510275,China

boron nitride nanotubes quantum chemistry image potentials structure dependence

2024

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子:0.995
ISSN:1674-1056
年,卷(期):2024.33(12)