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By using the tight-binding energy band theory, we study the band structures of BC3 nanotubes under stretching and compressing deformations, the conductivity band turns more and more close to the valence band of the BC3 nanotubes and eventually they overlap each other with the increase of tension. Furthermore, the results obtained show that the overlap under compressing is bigger than that under stretching. The biggest overlap under compressing is up to 05 eV, but it is only 02 eV under stretching. In addition, for armchair BC3 nanotubes, the results of band structures show that with the increase of tension, the BC3 nanotube transforms into an indirect semiconductor from a direct semiconductor, and then leads to the band overlap. The armchair BC3 nanotube is an unstable narrow-gap semiconductor, because a little compress (et=-0003) can convert it transform into an indirect semiconductor from a direct semiconductor. For zigzag BC3 nanotubes, a slight deformation can turn into a direct semiconductor having only one allowed wave vector from a direct semiconductor having all wave vectors, owing to the existence of two flat conductivity and valence bands.
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Keywords:
- BC3 nanotube /
- energy gap /
- strain-deformation /
- semiconductor
[1] ［1］Iijima S 1991 Nature 354 56
[2] ［2］Miyamoto Y, Rubio A, Louie S G, Cohen M L 1994 Phys. Rev. B 50 18360
[3] ［3］Guo Z X, Xiao Y, Ding J W, Yan Y H 2006 Phys. Rev. B 73 045405
[4] ［4］Chen S C, Chen I Y, Ho Y H, Lin M F 2006 J. Vac. Sci. Technol. B 24 46
[5] ［5］Wang H, Feng M, Cao X W, Wang Y F, Jin Q H, Ding D T, Lan G X 2008 Acta Phys. Sin. 57 5143(in Chinese)［王翚、冯敏、 曹学伟、王玉芳、金庆华、丁大同、蓝国祥 2008物理学报 57 5143］
[6] ［6］Huang K, Han R Q 2005 Solid State Physics (Beijing: Higher Education Press) (in Chinese)［黄昆、韩汝琦 2005固体物理 (北京：高等教育出版社) ］
[7] ［7］Wentzcovitch R M, Cohen M L, Louie S G, Tomnek D 1988 Solid State Commun. 67 515
[8] ［8］Harrison W A 1999 Elementary Electronic Structure (Singapore: World Scientific Publishing) p262
[9] ［9］Yang L, Han J 2000 Phys. Rev. Lett. 85 154
[10] ］Liu H, Yin H J, Xia S N 2009 Acta Phys. Sin. 58 8089 (in Chinese)［刘红、 印海建、 夏树宁 2009物理学报 58 8089］
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[1] ［1］Iijima S 1991 Nature 354 56
[2] ［2］Miyamoto Y, Rubio A, Louie S G, Cohen M L 1994 Phys. Rev. B 50 18360
[3] ［3］Guo Z X, Xiao Y, Ding J W, Yan Y H 2006 Phys. Rev. B 73 045405
[4] ［4］Chen S C, Chen I Y, Ho Y H, Lin M F 2006 J. Vac. Sci. Technol. B 24 46
[5] ［5］Wang H, Feng M, Cao X W, Wang Y F, Jin Q H, Ding D T, Lan G X 2008 Acta Phys. Sin. 57 5143(in Chinese)［王翚、冯敏、 曹学伟、王玉芳、金庆华、丁大同、蓝国祥 2008物理学报 57 5143］
[6] ［6］Huang K, Han R Q 2005 Solid State Physics (Beijing: Higher Education Press) (in Chinese)［黄昆、韩汝琦 2005固体物理 (北京：高等教育出版社) ］
[7] ［7］Wentzcovitch R M, Cohen M L, Louie S G, Tomnek D 1988 Solid State Commun. 67 515
[8] ［8］Harrison W A 1999 Elementary Electronic Structure (Singapore: World Scientific Publishing) p262
[9] ［9］Yang L, Han J 2000 Phys. Rev. Lett. 85 154
[10] ］Liu H, Yin H J, Xia S N 2009 Acta Phys. Sin. 58 8089 (in Chinese)［刘红、 印海建、 夏树宁 2009物理学报 58 8089］
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