| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
Prev
Next
|
|
|
Strain engineering of electronic and magnetic properties of Ga2S2 nanoribbons |
| Bao-Ji Wang(王宝基)1, Xiao-Hua Li(李晓华)1, Li-Wei Zhang(张利伟)1, Guo-Dong Wang(王国东)1, San-Huang Ke(柯三黄)2 |
1 School of Physics and Electronic Information Engineering, Henan Polytechnic University, Jiaozuo 454000, China;
2 MOE Key Labortoray of Microstructured Materials, School of Physics Science and Engineering, Tongji University, Shanghai 200092, China |
|
|
|
|
Abstract Using first-principles calculations, we study the tailoring of the electronic and magnetic properties of gallium sulfide nanoribbons (Ga2S2NRs) by mechanical strain. Hydrogen-passivated armchair- and zigzag-edged NRs (ANRs and ZNRs) with different widths are investigated. Significant effects in band gap and magnetic properties are found and analyzed. First, the band gaps and their nature of ANRs can be largely tailored by a strain. The band gaps can be markedly reduced, and show an indirect-direct (I-D) transition under a tensile strain. While under an increasing compressive strain, they undergo a series transitions of I-D-I-D. Five strain zones with distinct band structures and their boundaries are identified. In addition, the carrier effective masses of ANRs are also tunable by the strain, showing jumps at the boundaries. Second, the magnetic moments of (ferromagnetic) ZNRs show jumps under an increasing compressive strain due to spin density redistribution, but are unresponsive to tensile strains. The rich tunable properties by stain suggest potential applications of Ga2S2NRs in nanoelectronics and optoelectronics.
|
Received: 16 December 2016
Revised: 21 February 2017
Accepted manuscript online:
|
|
PACS:
|
71.15.Mb
|
(Density functional theory, local density approximation, gradient and other corrections)
|
| |
73.20.At
|
(Surface states, band structure, electron density of states)
|
| |
73.21.Ac
|
(Multilayers)
|
| |
74.20.Pq
|
(Electronic structure calculations)
|
|
| Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11174220 and 11374226), the Key Scientific Research Project of the Henan Institutions of Higher Learning, China (Grant No. 16A140009), the Program for Innovative Research Team of Henan Polytechnic University, China (Grant Nos. T2015-3 and T2016-2), the Doctoral Foundation of Henan Polytechnic University, China (Grant No. B2015-46), and the High-performance Grid Computing Platform of Henan Polytechnic University, China. |
Corresponding Authors:
San-Huang Ke
E-mail: shke@tongji.edu.cn
|
Cite this article:
Bao-Ji Wang(王宝基), Xiao-Hua Li(李晓华), Li-Wei Zhang(张利伟), Guo-Dong Wang(王国东), San-Huang Ke(柯三黄) Strain engineering of electronic and magnetic properties of Ga2S2 nanoribbons 2017 Chin. Phys. B 26 057102
|
| [1] |
Du A, Smith S C and Lu G 2007 Chem. Phys. Lett. 447 181
|
| [2] |
Nakamura J, Nitta T and Natori A 2005 Phys. Rev. B 72 205429
|
| [3] |
Li Y F, Zhou Z, Zhang S B and Chen Z F 2008 J. Am. Chem. Soc. 130 16793
|
| [4] |
Late D J, Liu B, Luo J, Yan A, Ramakrishna M H S S, Grayson M, Rao C N R and Dravid V P 2012 Adv. Mater. 24 3549
|
| [5] |
Tang Q and Zhou Z 2013 Progress in Materials Science 111 1244
|
| [6] |
Tang Q, Zhou Z and Chen Z F 2015 WIREs Comput Mol Sci 5 360
|
| [7] |
Panda S K, Datta A, Sinha G, Chaudhuri S, Chavan P G, Patil S S, More M A and Joag D S 2008 J. Phys. Chem. C 112 6240
|
| [8] |
Shen G Z, Chen D, Chen P C and Zhou C W 2009 ACS Nano 3 1115
|
| [9] |
Zólyomi V, Drummond N D and Fal'ko V I 2013 Phys. Rev. B 87 195403
|
| [10] |
Zhuang H L and Hennig R G 2013 Chem. Mater. 25 3232
|
| [11] |
Zhou J 2015 RSC Adv. 5 94679
|
| [12] |
Wang B J, Li X H, Zhang L W, Wang G D and Ke S H 2016 Chin. Phys. B 25 107100
|
| [13] |
Huang L, Wu F G and Li J B 2016 J. Chem. Phys. 144 114708
|
| [14] |
Ji J T, Zhang A M, Xia T L, Gao P, Jie Y H, Zhang Q and Zhang Q M 2016 Chin. Phys. B 25 077802
|
| [15] |
Rosid N A I C, Ahmadi M T and Ismail R 2016 Chin. Phys. B 25 096802
|
| [16] |
Huang L, Chen Z H and Li J B 2015 RSC Adv. 5 5788
|
| [17] |
Ma Y, Dai Y, Guo M, Yu L and Huang B 2013 Phys. Chem. Chem. Phys. 15 7098
|
| [18] |
Orudzhev G S and Kasumova E K 2014 Physics of the Solid State 56 619
|
| [19] |
Wei W, Dai Y, Niu C W, Li X, Ma Y D and Huang B B 2015 J. Mater. Chem. C 3 11548
|
| [20] |
Copple A, Ralston N and Peng X 2012 Appl. Phys. Lett. 100 193108
|
| [21] |
Peng X and Copple A 2013 Phys. Rev. B 87 115308
|
| [22] |
Signorello G, LÖrtscher E, Khomyakov P A, Karg S, Dheeraj D L, Gotsmann B, Weman H and Riel H 2014 Nat. Commun. 5 3655
|
| [23] |
Nakada K, Fujita M, Dresselhaus G and Dresselhaus M S 1996 Phys. Rev. B 54 17954
|
| [24] |
Zhao H, Min K and Aluru N R 2009 Nano Lett. 9 3012
|
| [25] |
Wakabayashi K, Fujita M, Ajiki H and Sigrist M 1999 Phys. Rev. B 59 8271
|
| [26] |
Kresse G and Hafner J 1993 Phys. Rev. B 47 558
|
| [27] |
Blöchl P E 1994 Phys. Rev. B 50 17953
|
| [28] |
Perdew J P, Chevary J A, Vosko S H, Jackson K A, Pederson M R, Singh D J and Fiolhais C 1992 Phys. Rev. B 46 6671
|
| [29] |
Perdew J P and Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
|
| [30] |
Luo W, Roundy D, Cohen M L and Morris J W 2002 Phys. Rev. B 66 094110
|
| [31] |
Roundy D and Cohen M L 2001 Phys. Rev. B 64 212103
|
| [32] |
Cheng Y C, Zhu Z Y and Schwingenschlögl U 2012 J. Mater. Chem. 22 24676
|
| [33] |
Su W S, Wu B R and Leung T C 2011 Comp. Phys. Comm. 182 99
|
| [34] |
Wu G X, Wang Z Q, Jing Y H and Wang C Y 2013 Chem. Phys. Lett. 559 82
|
| [35] |
Jing Y H, Sun Y, Niu H W and and Shen J 2013 Phys. Status Solidi B 250 1505
|
| [36] |
Su J, Feng L P, Pana H X, Lu H C and Liua Z T 2016 Materials and Design 96 257
|
| [37] |
Han X Y, Stewart H M, Shevlin S A, Catlow C R A and Guo Z X 2014 Nano Lett. 14 4607
|
| [38] |
Zeng H L, Dai J F, Yao W, Xiao D and Cui X D 2012 Nat. Nanotech. 7 490
|
| [39] |
Peng X, Wei Q and Copple A 2014 Phys. Rev. B 90 085402
|
| [40] |
Kou L Z, Tang C, Zhang Y, Heine T, Chen C F and Frauenheim T 2012 J. Phys. Chem. Lett. 3 2934
|
| [41] |
Xiong W Q, Xia C X, Peng Y T, Du J, Wang T X, Zhang J C and Jia Y 2016 J. Phys. Chem. Lett. 18 6534
|
| No Suggested Reading articles found! |
|
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
Cited |
|
|
|
|
Altmetric
|
|
blogs
Facebook pages
Wikipedia page
Google+ users
|
Online attention
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
View more on Altmetrics
|
|
|
