| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
|
|
|
|
Strain Effects on Electronic Properties of Boron Nitride Nanoribbons |
LI Jin, SUN Li-Zhong, ZHONG Jian-Xin |
| Laboratory for Quantum Engineering and Micro-Nano Energy Technology, Xiangtan University, Xiangtan 411105 Department of Physics, Xiangtan University, Xiangtan 411105 |
|
| Cite this article: |
|
LI Jin, SUN Li-Zhong, ZHONG Jian-Xin 2010 Chin. Phys. Lett. 27 077101 |
|
|
|
|
Abstract We investigate the strain effects on the electronic properties of boron nitride nanoribbons (BNNRs) by using first-principles calculations. The results show that the energy gap of BNNRs with both armchair edges (A-BNNRs) and zigzag edges (Z-BNNRs) decreases as the strain increases. As strain increases, the energy gaps of Z-BNNRs decrease rapidly as the width increases and reduce significantly to small values, which makes Z-BNNRs change from wide-gap to narrow-gap semiconductors.
|
| Keywords:
71.15.Mb
73.22.-f
62.23.Kn
68.60.Bs
|
|
|
Received: 01 March 2010
Published: 28 June 2010
|
|
| PACS: |
71.15.Mb
|
(Density functional theory, local density approximation, gradient and other corrections)
|
| |
73.22.-f
|
(Electronic structure of nanoscale materials and related systems)
|
| |
62.23.Kn
|
(Nanosheets)
|
| |
68.60.Bs
|
(Mechanical and acoustical properties)
|
|
|
|
|
|
[1] Kroto H W, Heath J R, O'Brien S C, Curl R F and Smalley R E 1985 Nature 318 162
[2] Tang C M, Zhu W H and Deng K M 2009 Chin. Phys. Lett. 26 096101
[3] Yu L M, Shi G S, Wang Z G, Fu J G and Lu Z P 2009 Chin. Phys. Lett. 26 086804
[4] Iijima S and Ichibashi T 1993 Nature 363 603
[5] Xiao Y, Yan X H and Ding J W 2007 Chin. Phys. Lett. 24 3506
[6] Xu M H, Qi X S, Zhong W, Ye X J, Deng Y, Au C T, Jin C Q, Yang Z X and Du Y W 2009 Chin. Phys. Lett. 26 116103
[7] Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V and Firsov A A 2004 Science 306 666
[8] Huang Q S, Guo L W, Wang W J, Wang G, Wang W Y, Jia Y U, Lin J J, Li K and Chen X L 2010 Chin. Phys. Lett. 27 046803
[9] Lu H Y and Wang Q H 2008 Chin. Phys. Lett. 25 3746
[10] Chen Y P, Xie Y E, Sun L Z and Zhong J X 2008 Appl. Phys. Lett. 93 092104
[11] Chen Y P, Xie Y E and Yan X H 2008 J. Appl. Phys. 103 063711
[12] Han M, Zhang Y and Zheng H B 2010 Chin. Phys. Lett. 27 037302
[13] Peng X X, Liao W H and Zhou G H 2008 Chin. Phys. Lett. 25 3436
[14] Novoselov K S, Jiang D, Schedin F, Booth T J, Khotkevich V V, Morozov S V and Geim A K 2005 Proc. Natl. Acad. Sci. 102 10451
[15] Li J, Gui G and Zhong J X 2008 J. Appl. Phys. 104 094311
[16] Arnaud B, Lebegue S, Rabiller P and Alouani M 2006 Phys. Rev. Lett. 96 026402
[17] Blase X, Rubio A, Louie S G and Cohen M L 1995 Phys. Rev. B 51 6868
[18] Han M Y, Ozyilmaz B, Zhang Y and Kim P 2007 Phys. Rev. Lett. 98 206805
[19] Chen Z, Lin Y M, Rooks M J and Avouris P 2007 Physica E 40 228
[20] Li X, Wang X, Zhang L, Lee S and Dai H 2008 Science 319 1229
[21] Nakamura J, Nitta T and Natori A 2005 Phys. Rev. B 72 205429
[22] Du A J, Smith Sean C and Lu G Q 2007 Chem. Phys. Lett. 447 181
[23] Zhang Z and Guo W 2008 Phys. Rev. B 77 075403
[24] Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
[25] Kresse G and Furthmuller J 1996 Comput. Mater. Sci. 6 15
[26] Blochl P E 1994 Phys. Rev. B 50 17953
[27] Kresse G and Jouber J 1999 Phys. Rev. B 59 1758
[28] Ceperley D M and Alder B J 1980 Phys. Rev. Lett. 45 566
[29] Park C H and Louie S T 2008 Nano Lett. 8 2200
[30] Topsakal M and Circci S 2010 Phys. Rev. B 81 024107
[31] Wang X R, Li X L, Zhang Li, Yoon Y K, Weber P K, Wang H L, Guo J and Dai H J 2009 Science 324 768
[32] Barone V, Hod O and Scuseria G E 2006 Nano Lett. 6 2748
|
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
