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First-principles density-functional calculations on the field emission properties of BN nanocones |
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| Authors: | C.Q. Qu L. Qiao C. Wang S.S. Yu W.T. Zheng Y.Z. Fu Q. Jiang |
| Affiliation: | aDepartment of Materials Science, Jilin University, Changchun 130012, People’s Republic of China bKey Laboratory of Automobile Materials of MOE, Jilin University, Changchun 130012, People’s Republic of China cCollege of Science, Changchun University, Changchun 130022, People’s Republic of China |
| Abstract: | The first-principles density-functional theory is used to study the geometrical structures and field emission properties of different boron nitride nanocones with 240 disclination. It is found that the nanocones can be stable under applied electric field and the emission current is sensitively dependent on the tips of nanocones. The nanocones with homonuclear bonds at the tip can introduce additional energy states near Fermi level, which can reduce the ionization potential and increase the emission current of these boron nitride nanocones. This investigation indicates that the boron nitride nanocone can be a promising candidate as a field emission electron source. |
| Keywords: | A. Boron nitride C. Field emission E. First-principles calculations |
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