六角氮化硼片能带结构的应变调控

谢剑锋; 曹觉先

doi:10.7498/aps.62.017302

摘要

采用第一性原理研究了应变对单层、双层和三层BN片能带结构的影响.研究表明, 随着张应变的增大, BN片的带隙线性变小, 且变化的斜率与层数以及多层BN片的堆垛方式无关.

关键词:

With the density of function with pesudopotentional and plane-wave method, we study the strain effect on band structure of multi-layered BN film. It is found that the band gap of BN film decreases linearly with the increase of tensile strain, and the slope of the band gap-strain curve is independent of the BN stacking and the number of the BN layers, indicating that the band structure of BN film is determined by the interlayer interaction rather than the intralayer interaction.

Keywords:

作者及机构信息

1.
湘潭大学物理系, 湘潭 411105

基金项目: 国家自然科学基金(批准号: 11074212)和湖南省教育厅青年项目(批准号: 10B104)资助的课题.

Authors and contacts

1.
Department of Physics, Xiangtan University, Xiangtan 411105, China

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 11074212), and the Research Foundation of Education Bureau of Hunan Province, China (Grant No. 10B104).

参考文献

[1]	Curl R F 1997 Rev. Mod. Phys. 69 691
[2]	Ren Z, Huang Z, Xu J, Wang J, Bush P, Siegal M, Provencio P 1998 Science 282 1105
[3]	Mattsson A E, Schultz P A, Desjarlais M P, Mattsson T R, Leung K 2005 Model. Simul. Mate. SC. 13 1
[4]	Novoselov K, Geim A, Morozov S, Jiang D, Zhang Y, Dubonos S, Grigorieva I, Firsov A 2004 Science 306 666
[5]	Fujishima A 1972 Nature 238 37
[6]	Mak K F, Shan J, Heinz T F 2011 Phys. Rev. Lett. 106 046401
[7]	Zhu W, Qiu X, Iancu V, Chen X Q, Pan H, Wang W, Dimitrijevic N M, Rajh T, Meyer H M, Paranthaman M P 2009 Phys. Rev. Lett. 103 226401
[8]	Hu L H, Dai S Y, Wang K J 2005 Acta Phys. Sin. 54 1914 (in Chinese) [胡林华, 戴松元, 王孔嘉 2005 物理学报 54 1914]
[9]	Ding Z, Lu G, Greenfield P 2000 J. Phys. Chem. B 104 4815
[10]	Zhang Z D, Hou Q Y, Li C, Zhao C W 2012 Acta Phys. Sin. 61 117102 (in Chinese) [张振铎, 侯清玉, 李聪, 赵春旺 2012 物理学报 61 117102]
[11]	O'regan B, Gratzel M 1991 Nature 353 737
[12]	Shah S, Li W, Huang C P, Jung O, Ni C 2002 P. Natl. Acad. Sci. USA. 99 6482
[13]	Peng L P, Xia Z C, Yang C Q 2012 Acta Phys. Sin. 61 127104 (in Chinese) [彭丽萍, 夏正才, 杨昌权 2012 物理学报 61 127104]
[14]	Li C, Hou Q Y, Zhang Z D, Zhao C W, Zhang B 2012 Acta Phys. Sin. 61 167103 (in Chinese) [李聪, 侯清玉, 张振铎, 赵春旺, 张冰 2012 物理学报 61 167103]
[15]	Hara M, Kondo T, Komoda M, Ikeda S, Kondo J N, Domen K, Shinohara K, Tanaka A 1998 Chem. Commun. 3 357
[16]	Wang P, Liu Z, Lin F, Zhou G, Wu J, Duan W, Gu B L, Zhang S 2010 Phys. Rev. B 82 193103
[17]	Pan C C, Wu J 2006 Mater. Chem. Phys. 100 102
[18]	Novoselov K, Jiang D, Schedin F, Booth T, Khotkevich V, Morozov S, Geim A 2005 P. Natl. Acad. Sci. USA. 102 10451
[19]	Meyer J C, Chuvilin A, Algara-Siller G, Biskupek J, Kaiser U 2009 Nano. Lett. 9 2683
[20]	Gao R, Yin L, Wang C, Qi Y, Lun N, Zhang L, Liu Y X, Kang L, Wang X 2009 J. Phys. Chem. C 113 15160
[21]	Han W Q, Wu L, Zhu Y, Watanabe K, Taniguchi T 2008 Appl. Phys. Lett. 93 223103
[22]	Thiel S, Hammerl G, Schmehl A, Schneider C W, Mannhart J 2006 Science 313 1942
[23]	Hwang H Y 2006 Science 313 1895
[24]	Caviglia A, Gariglio S, Reyren N, Jaccard D, Schneider T, Gabay M, Thiel S, Hammerl G, Mannhart J, Triscone J M 2008 Nature 456 624
[25]	Becke A D 1988 Phys. Rev. A 38 3098
[26]	Perdew J P, Wang Y 1992 Phys. Rev. B 46 12947

施引文献

[1]	Curl R F 1997 Rev. Mod. Phys. 69 691
[2]	Ren Z, Huang Z, Xu J, Wang J, Bush P, Siegal M, Provencio P 1998 Science 282 1105
[3]	Mattsson A E, Schultz P A, Desjarlais M P, Mattsson T R, Leung K 2005 Model. Simul. Mate. SC. 13 1
[4]	Novoselov K, Geim A, Morozov S, Jiang D, Zhang Y, Dubonos S, Grigorieva I, Firsov A 2004 Science 306 666
[5]	Fujishima A 1972 Nature 238 37
[6]	Mak K F, Shan J, Heinz T F 2011 Phys. Rev. Lett. 106 046401
[7]	Zhu W, Qiu X, Iancu V, Chen X Q, Pan H, Wang W, Dimitrijevic N M, Rajh T, Meyer H M, Paranthaman M P 2009 Phys. Rev. Lett. 103 226401
[8]	Hu L H, Dai S Y, Wang K J 2005 Acta Phys. Sin. 54 1914 (in Chinese) [胡林华, 戴松元, 王孔嘉 2005 物理学报 54 1914]
[9]	Ding Z, Lu G, Greenfield P 2000 J. Phys. Chem. B 104 4815
[10]	Zhang Z D, Hou Q Y, Li C, Zhao C W 2012 Acta Phys. Sin. 61 117102 (in Chinese) [张振铎, 侯清玉, 李聪, 赵春旺 2012 物理学报 61 117102]
[11]	O'regan B, Gratzel M 1991 Nature 353 737
[12]	Shah S, Li W, Huang C P, Jung O, Ni C 2002 P. Natl. Acad. Sci. USA. 99 6482
[13]	Peng L P, Xia Z C, Yang C Q 2012 Acta Phys. Sin. 61 127104 (in Chinese) [彭丽萍, 夏正才, 杨昌权 2012 物理学报 61 127104]
[14]	Li C, Hou Q Y, Zhang Z D, Zhao C W, Zhang B 2012 Acta Phys. Sin. 61 167103 (in Chinese) [李聪, 侯清玉, 张振铎, 赵春旺, 张冰 2012 物理学报 61 167103]
[15]	Hara M, Kondo T, Komoda M, Ikeda S, Kondo J N, Domen K, Shinohara K, Tanaka A 1998 Chem. Commun. 3 357
[16]	Wang P, Liu Z, Lin F, Zhou G, Wu J, Duan W, Gu B L, Zhang S 2010 Phys. Rev. B 82 193103
[17]	Pan C C, Wu J 2006 Mater. Chem. Phys. 100 102
[18]	Novoselov K, Jiang D, Schedin F, Booth T, Khotkevich V, Morozov S, Geim A 2005 P. Natl. Acad. Sci. USA. 102 10451
[19]	Meyer J C, Chuvilin A, Algara-Siller G, Biskupek J, Kaiser U 2009 Nano. Lett. 9 2683
[20]	Gao R, Yin L, Wang C, Qi Y, Lun N, Zhang L, Liu Y X, Kang L, Wang X 2009 J. Phys. Chem. C 113 15160
[21]	Han W Q, Wu L, Zhu Y, Watanabe K, Taniguchi T 2008 Appl. Phys. Lett. 93 223103
[22]	Thiel S, Hammerl G, Schmehl A, Schneider C W, Mannhart J 2006 Science 313 1942
[23]	Hwang H Y 2006 Science 313 1895
[24]	Caviglia A, Gariglio S, Reyren N, Jaccard D, Schneider T, Gabay M, Thiel S, Hammerl G, Mannhart J, Triscone J M 2008 Nature 456 624
[25]	Becke A D 1988 Phys. Rev. A 38 3098
[26]	Perdew J P, Wang Y 1992 Phys. Rev. B 46 12947

计量

文章访问数: 6173
PDF下载量: 1340
被引次数: 0

姓名
邮箱
手机号码
标题
留言内容
验证码

搜索

留言板