Band structures of strain-deformed BC3 nanotubes

Han Wen-Peng; Liu Hong

doi:10.7498/aps.59.4194

Abstract

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 05 eV, but it is only 02 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=-0003) 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.

Keywords:

Authors and contacts

1.
南京师范大学物理系，南京 210046

References

[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 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, Tomnek 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 58 8089］

Cited By

[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 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, Tomnek 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 58 8089］

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