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Theoretical study on structure of boron nitride fullerenes |
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| Authors: | Won Ha Moon Ho Jung Hwang |
| Affiliation: | a Central R&D Institute, Samsung Electro-Mechanics Co., Ltd., Suwon 443-743, Republic of Korea b Department of Electrical and Electronic Engineering, School of Computer & Communication Engineering, Sunchon National University, Jeonnam 540-742, Republic of Korea c Department of Electrical and Electronic Engineering, Chung-Ang University, Seoul 156-756, Republic of Korea |
| Abstract: | We propose the parameters of the Stillinger-Weber potential for hexagonal boron nitride (BN) structures. For the reliability of these parameters, the structural property of BN fullerenes is investigated. The stability of BN fullerenes increases with increasing the number of atoms, due to the reduction of the curvature effect of BN fullerenes. The structures of the relative stable fullerenes are B16N16, B18N18, B22N22, B25N25, and B28N28. |
| Keywords: | 61.48.+c 81.05.Tp 61.43.Bn 82.20.Wt |
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