Please wait a minute...
Chin. Phys. B, 2021, Vol. 30(7): 076104    DOI: 10.1088/1674-1056/abf34d
CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES Prev   Next  

A novel two-dimensional SiO sheet with high-stability, strain tunable electronic structure, and excellent mechanical properties

Shijie Liu(刘世杰)1,2,† and Hui Du(杜慧)1,‡
1 Henan Key Laboratory of Photoelectric Energy Storage Materials and Applications, School of Physics and Engineering, Henan University of Science and Technology, Luoyang 471023, China;
2 State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China
Abstract  Using the structure search of particle swarm optimization (PSO) algorithm combined with density functional theory (DFT), we conduct a systematic two-dimensional (2D) material research on the SiO and discover a P2 monolayer structure. The phonon spectrum shows that the 2D P2 is dynamic-stable under ambient pressure. Molecular dynamics simulations show that 2D P2 can still exist stably at a high temperature of 1000 K, indicating that 2D P2 has application potential in high-temperature environments. The intrinsic 2D P2 structure has a quasi-direct band gap of 3.2 eV. The 2D P2 structure can be transformed into a direct band gap semiconductor by appropriate strain, and the band gap can be adjusted to the ideal band gap of 1.2 eV-1.6 eV for photovoltaic materials. These unique properties of the 2D P2 structure make it expected to have potential applications in nanomechanics and nanoelectronics.
Keywords:  2D material      SiO sheet      first-principles method      strain  
Received:  29 January 2021      Revised:  26 March 2021      Accepted manuscript online:  30 March 2021
PACS:  61.46.-w (Structure of nanoscale materials)  
  61.50.Ah (Theory of crystal structure, crystal symmetry; calculations and modeling)  
Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 12004102 and 11847094), the China Postdoctoral Science Foundation (Grant No. 2020M670836), and the Open Project of State Key Laboratory of Superhard Materials in Jilin University (Grant No. 201703).
Corresponding Authors:  Shijie Liu, Hui Du     E-mail:  liusj0228@163.com;duhui0207@163.com

Cite this article: 

Shijie Liu(刘世杰) and Hui Du(杜慧) A novel two-dimensional SiO sheet with high-stability, strain tunable electronic structure, and excellent mechanical properties 2021 Chin. Phys. B 30 076104

[1] Novoselov K S, Geim A K, Morozov S V, Jiang D, Katsnelson M I, Grigorieva I V, Dubonos S V and Firsov A A 2005 Nature 438 197
[2] Mak K F, Lee C, Hone J, Shan J and Heinz T F 2010 Phys. Rev. Lett. 105 136805
[3] Sarikurt S, Kadioglu Y, Ersan F, Vatansever E, Aktürk O ü, Yüksel Y, Akinci ü and Aktürk E 2018 Phys. Chem. Chem. Phys. 20 997
[4] Zhou X F, Dong X, Oganov A R, Zhu Q, Tian Y J and Wang H T 2014 Phys. Rev. Lett. 112 085502
[5] Dong L, Wang A W, Li E, Wang Q, Li G, Huan Q and Gao H J 2019 Chin. Phys. Lett. 36 028102
[6] Gu Y Y, Wang Y F, Xia J and Meng X M 2020 Chin. Phys. Lett. 37 048101
[7] Liu P F, Wu Y, Bo T, Hou L, Xu J P, Zhang H J and Wang B T 2018 Phys. Chem. Chem. Phys. 20 732
[8] Zhang L Z, Wang Z F, Du S X, Gao H J and Liu F 2014 Phys. Rev. B 90 161402
[9] Jiao Y, Ma F, Bell J, Bilic A and Du A 2016 Angew. Chem. 128 10448
[10] Du H, Li G, Chen J, Lv Z, Chen Y and Liu S 2020 Phys. Chem. Chem. Phys. 22 20107
[11] Song L L, Zhang L Z, Guan Y R, Lu J C, Yan C X and Cai J M 2019 Chin. Phys. B 28 037101
[12] Cai X, Chen Y, Sun B, Chen J, Wang H, Ni Y, Tao L, Wang H, Zhu S, Li X, Wang Y, Lv J, Feng X, Redfern S A T and Chen Z 2019 Nanoscale 11 8260
[13] Wang X G, Xia B Y, Gou J, Cheng P, Xu Y, Chen L and Wu K H 2020 Chin. Phys. Lett. 37 066802
[14] Liu H, Sun J T, Song C C, Huang H Q, Liu F and Meng S 2020 Chin. Phys. Lett. 37 067101
[15] Zhao Y H, Liu B, Yang J L, He J and Jiang J 2020 Chin. Phys. Lett. 37 088501
[16] Li J M, Yao Y K, Sun L H, Shan X Y, Wang C and Lu X H 2019 Chin. Phys. Lett. 36 048201
[17] Du H, Liu S J, Li G L, Li L B, Liu X S and Liu B B 2019 Chin. Phys. B 28 016105
[18] Zhang S H, Zhou J, Wang Q, Chen X S, Kawazoe Y and Jena P 2015 Proc. Natl. Acad. Sci. USA 112 2372
[19] Zhang S L, Yan Z, Li Y F, Chen Z F and Zeng H B 2015 Angew. Chem. Int. Ed. 54 3112
[20] Gao Z B, Dong X, Li N B and Ren J 2017 Nano Lett. 17 772
[21] Liu S, Du H, Li G, Li L, Shi X and Liu B 2018 Phys. Chem. Chem. Phys. 20 20615
[22] Zhang M, Gao G, Kutana A, Wang Y, Zou X, Tse J S, Yakobson B I, Li H, Liu H and Ma Y 2015 Nanoscale 7 12023
[23] Kazmerski L L 2006 J. Electron Spectrosc. Relat. Phenom. 150 105
[24] Gao B, Gao P, Lu S, Lv J, Wang Y and Ma Y 2019 Sci. Bull. 64 301
[25] Wang Y, Lv J, Zhu L and Ma Y 2012 Comput. Phys. Commun. 183 2063
[26] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[27] Kresse G and Furthmuller J 1996 Comput. Mater. Sci. 6 15
[28] Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
[29] Blochl P E 1994 Phys. Rev. B 50 17953
[30] Heyd J, Scuseria G E and Ernzerhof M 2003 J. Chem. Phys. 118 8207
[31] Togo A, Oba F and Tanaka I 2008 Phys. Rev. B 78 134106
[32] Kim D Y, Stefanoski S, Kurakevych O O and Strobel T A 2015 Nat. Mater. 14 169
[33] Liu S, Liu B, Shi X, Lv J, Niu S, Yao M, Li Q, Liu R, Cui T and Liu B 2017 Sci. Rep. 7 2404
[34] Feng J, Qian X, Huang C W and Li J 2012 Nat. Photon. 6 866
[35] Plechinger G, Castellanos-Gomez A, Buscema M, Van Der Zant H S, Steele G A, Kuc A, Heine T, Schüller C and Korn T 2015 2D Mater. 2 015006
[36] Fan P, Qian G J, Wang D F, Li E, Wang Q, Chen H, Lin X and Gao H J 2021 Chin. Phys. B 30 018105
[37] He Y F, Wang L X, Xiao Z X, Lv Y W, Liao L and Jiang C Z 2020 Chin. Phys. Lett. 37 088502
[38] Zhang S, Song Y, Li H, Li J M, Qian K, Liu C, Wang J O, Qian T, Zhang Y Y, Lu J C, Ding H, Lin X, Pan J B, Du S X and Gao H J 2020 Chin. Phys. Lett. 37 068103
[39] Zha X H, Zhou J, Luo K, Lang J J, Huang Q, Zhou X B, Francisco J S, He J and Du S Y 2017 J. Phys.: Condens. Matter 29 165701
[1] Strain drived band aligment transition of the ferromagnetic VS2/C3N van der Waals heterostructure
Jimin Shang(商继敏), Shuai Qiao(乔帅), Jingzhi Fang(房景治), Hongyu Wen(文宏玉), and Zhongming Wei(魏钟鸣). Chin. Phys. B, 2021, 30(9): 097507.
[2] Molecular dynamics study of coupled layer thickness and strain rate effect on tensile behaviors of Ti/Ni multilayered nanowires
Meng-Jia Su(宿梦嘉), Qiong Deng(邓琼), Lan-Ting Liu(刘兰亭), Lian-Yang Chen(陈连阳), Meng-Long Su(宿梦龙), and Min-Rong An(安敏荣). Chin. Phys. B, 2021, 30(9): 096201.
[3] Strain-dependent resistance and giant gauge factor in monolayer WSe2
Mao-Sen Qin(秦茂森), Xing-Guo Ye(叶兴国), Peng-Fei Zhu(朱鹏飞), Wen-Zheng Xu(徐文正), Jing Liang(梁晶), Kaihui Liu(刘开辉), and Zhi-Min Liao(廖志敏). Chin. Phys. B, 2021, 30(9): 097203.
[4] Strain-modulated ultrafast magneto-optic dynamics of graphene nanoflakes decorated with transition-metal atoms
Yiming Zhang(张一鸣), Jing Liu(刘景), Chun Li(李春), Wei Jin(金蔚), Georgios Lefkidis, and Wolfgang Hübner. Chin. Phys. B, 2021, 30(9): 097702.
[5] Strain-tuned magnetic properties in (Ga,Fe)Sb: First-principles study
Feng-Chun Pan(潘凤春), Xue-Ling Lin(林雪玲), and Xu-Ming Wang(王旭明). Chin. Phys. B, 2021, 30(9): 096105.
[6] Magnetic and electronic properties of two-dimensional metal-organic frameworks TM3(C2NH)12
Zhen Feng(冯振), Yi Li(李依), Yaqiang Ma(马亚强), Yipeng An(安义鹏), and Xianqi Dai(戴宪起). Chin. Phys. B, 2021, 30(9): 097102.
[7] Revealing the A1g-type strain effect on superconductivity and nematicity in FeSe thin flake
Zhaohui Cheng(程朝晖), Bin Lei(雷彬), Xigang Luo(罗习刚), Jianjun Ying(应剑俊), Zhenyu Wang(王震宇), Tao Wu(吴涛), and Xianhui Chen(陈仙辉). Chin. Phys. B, 2021, 30(9): 097403.
[8] Epitaxial growth and transport properties of compressively-strained Ba2IrO4 films
Yun-Qi Zhao(赵蕴琦), Heng Zhang(张衡), Xiang-Bin Cai(蔡祥滨), Wei Guo(郭维), Dian-Xiang Ji(季殿祥), Ting-Ting Zhang(张婷婷), Zheng-Bin Gu(顾正彬), Jian Zhou(周健), Ye Zhu(朱叶), and Yue-Feng Nie(聂越峰). Chin. Phys. B, 2021, 30(8): 087401.
[9] Tuning transport coefficients of monolayer MoSi2N4 with biaxial strain
Xiao-Shu Guo(郭小姝) and San-Dong Guo(郭三栋). Chin. Phys. B, 2021, 30(6): 067102.
[10] Grain boundary effect on structural, optical, and electrical properties of sol-gel synthesized Fe-doped SnO2 nanoparticles
Archana V, Lakshmi Mohan, Kathirvel P, and Saravanakumar S. Chin. Phys. B, 2021, 30(4): 048202.
[11] Digital and analog memory devices based on 2D layered MPS3 ( M=Mn, Co, Ni) materials
Guihua Zhao(赵贵华), Li Wang(王力), Xi Ke(柯曦), and Zhiyi Yu(虞志益). Chin. Phys. B, 2021, 30(4): 047303.
[12] Effect of strain on electrochemical performance of Janus MoSSe monolayer anode material for Li-ion batteries: First-principles study
Guoqing Wang(王国庆), Wenjing Qin(秦文静), and Jing Shi(石晶). Chin. Phys. B, 2021, 30(4): 046301.
[13] Transport property of inhomogeneous strained graphene
Bing-Lan Wu(吴冰兰), Qiang Wei(魏强), Zhi-Qiang Zhang(张智强), and Hua Jiang(江华). Chin. Phys. B, 2021, 30(3): 030504.
[14] Distributed optimization for discrete-time multiagent systems with nonconvex control input constraints and switching topologies
Xiao-Yu Shen(沈小宇), Shuai Su(宿帅), and Hai-Liang Hou(侯海良). Chin. Phys. B, 2021, 30(12): 120507.
[15] Band alignment in SiC-based one-dimensional van der Waals homojunctions
Xing-Yi Tan(谭兴毅), Lin-Jie Ding(丁林杰), and Da-Hua Ren(任达华). Chin. Phys. B, 2021, 30(12): 126102.
No Suggested Reading articles found!