应变对单层砷烯结构拉曼散射的影响

doi:10.19596/j.cnki.1001-246x.8057

计算物理 ›› 2020, Vol. 37 ›› Issue (3): 365-370.DOI: 10.19596/j.cnki.1001-246x.8057

应变对单层砷烯结构拉曼散射的影响

赵一程, 郭俊宏, 胡芳仁

南京邮电大学光电工程与格林堡研究中心, 江苏南京 210023

收稿日期:2019-03-05 修回日期:2019-08-05 出版日期:2020-05-25 发布日期:2020-05-25
通讯作者: 胡芳仁,E-mail:18168035610@163.com
作者简介:赵一程(1989-),男,硕士研究生,研究方向为二维材料及固体物理学,E-mail:18168035610@163.com
基金资助:
国家自然科学基金（61274127，61574080，61505085）资助项目

Raman Scattering Modification in Monolayer Arsenene Controlled byStrain Engineering

ZHAO Yicheng, GUO Junhong, HU Fangren

School of Optoelectronic Engineering and Grüenberg Research Centre, Nanjing University of Posts and Telecommunicates, Nanjing, Jiangsu 210023, China

Received:2019-03-05 Revised:2019-08-05 Online:2020-05-25 Published:2020-05-25

摘要/Abstract

摘要： 应用密度泛函理论对应变下的单层砷烯拉曼光谱的变化进行研究.由于材料的结构对称性较低，由外部应力诱发的形变不仅可以造成拉曼模式分裂，还可以引发拉曼模式偏移.计算表明：拉曼峰位的变化与应变正相关，建立了应变与峰位移动间的定量关系，为在实验中识别砷烯结构的应变提供依据.

关键词: 拉曼光谱, 第一性原理计算, 应变, 砷烯结构, 二维材料

Abstract: Raman spectra of monolayer arsenene with external strain are determined with density functional theory. Due to lower structural symmetry, deformation induced by external strain regulates Raman mode splitting and leads to Raman mode shifts as well. Our calculations suggest that the structural deformation induced by external strain can be clearly identified by Raman scattering.

Key words: Raman spectra, first-principle calculation, strain, arsenene, two-dimensional layered material

中图分类号:

赵一程, 郭俊宏, 胡芳仁. 应变对单层砷烯结构拉曼散射的影响[J]. 计算物理, 2020, 37(3): 365-370.

ZHAO Yicheng, GUO Junhong, HU Fangren. Raman Scattering Modification in Monolayer Arsenene Controlled byStrain Engineering[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2020, 37(3): 365-370.

参考文献

[1] RYZHII V, OTSUJI T, RYZHII M, et al. Double graphene-layer plasma resonances terahertz detector[J]. Journal of Physics D:Applied Physics, 2012, 45(30):302001.
[2] NOVOSELOV K S, JIANG D, SCHEDIN F, et al. Two-dimensional atomic crystals[J]. Proc Natl Acad Sci USA, 2005, 102(30):10451-10453.
[3] GUAN G, ZHANG S, LIU S, et al. Protein induces layer-by-layer exfoliation of transition metal dichalcogenides[J]. Journal of the American Chemical Society, 2015, 137(19):6152-6155.
[4] LI L, YU Y, YE G J, et al. Black phosphorus field-effect transistors[J]. Nature Nanotechnology, 2014, 9(5):372-377.
[5] ZHANG X, XIE Y. Recent advances in free-standing two-dimensional crystals with atomic thickness:Design, assembly and transfer strategies[J]. Chemical Society Reviews, 2013, 42(21):8187-8199.
[6] MENG M, WU X, ZHU X, et al. Cubic In₂O₃ microparticles for efficient photoelectrochemical oxygen evolution[J]. J Phys Chem Lett, 2014, 5(24):4298-4304.
[7] ZHANG S, YAN Z, LI Y, et al. Atomically thin arsenene and antimonene:Semimetal-semiconductor and indirect-direct band-gap transitions[J]. Angewandte Chemie, 2015, 127(10):3155-3158.
[8] ZHANG Y, SON H, ZHANG J, et al. Raman spectra variation of partially suspended individual single-walled carbon nanotubes[J]. Journal of Physical Chemistry C, 2007, 111(5):1983-1987.
[9] ZHANG S, HU Y, HU Z, et al. Hydrogenated arsenenes as planar magnet and Dirac material[J]. Applied Physics Letters, 2015, 107(2):8187.
[10] ZHANG Z Y, CAO H N, ZHANG J C, et al. Orientation and strain modulated electronic structures in puckered arsenene nanoribbons[J]. Aip Advances, 2015, 5(6):197.
[11] FERBINTEANU M, CIMPOESU F, TANASE S. Metal-organic frameworks with d-f cyanide bridges:Structural diversity, bonding regime, and magnetism[J]. Structure & Bonding, 2015, 163:185-229.
[12] XU M, LIANG T, SHI M, et al. Graphene-like two-dimensional materials[J]. Chemical Reviews, 2013, 113(5):3766-3798.
[13] MAK K F, LEE C, HONE J. Atomically thin MoS₂:A new direct-gap semiconductor[J]. Physical Review Letters, 2010, 105(13):136805.
[14] LIU L Z, LI T H, WU X L, et al. Identification of oxygen vacancy types from Raman spectra of SnO₂ nanocrystals[J]. Journal of Raman Spectroscopy, 2012, 43(10):1423-1426.
[15] WU X L, XIONG S J, LIU Z, et al. Green light stimulates terahertz emission from mesocrystal microspheres[J]. Nature Nanotechnology, 2011, 6(2):103-106.
[16] LIU J W, XU J, NI Y, et al. A family of carbon-based nanocomposite tubular structures created by in situ electron beam irradiation[J]. ACS Nano, 2012, 6(5):4500-4507.
[17] ZHAO Y, ZHU T, WEI M X, et al. K-shell spectra from CH foam tamped Ti layers irradiated with nanosecond laser pulses[J]. Chinese Physics Letters, 2012, 29(8):1028-1032.
[18] ZHOU W, LV Z H, WANG Y R, et al. Acoustic response and micro-damage mechanism of fiber composite materials under mode-II delamination[J]. Chinese Phys Lett, 2015, 32(4):046201.
[19] TIAN Z Z, ZHOU X P, SONG G L. First-principles calculation of Li thin films:Quantum size effects and adsorption of atomic hydrogen[J]. Chinese Journal of Computational Physics, 2018,35(6):729-736.
[20] PERDEW J P, BURKE K, ERNZERHOF M. Generalized gradient approximation made simple[J]. Physical Review Letters, 1998, 77(18):3865-3868.
[21] LIU L Z, WU X L, SHEN J C, et al. Identification of local silicon cluster nanostructures inside Si(x)Ge(1-x) alloy nanocrystals by Raman spectroscopy[J]. Chemical Communications, 2010, 46(30):5539-5541.
[22] WEN S M, YAO S W, ZHAO C W, et al. Effect of uniaxial strain on electronic structure and optical properties of InN[J]. Chinese Journal of Computational Physics, 2017, 34(6):722-730.
[23] MA J J, LI K X, ZHOU B C, et al. Defect location effect on tensile behavior of graphene[J]. Chinese Journal of Computational Physics, 2018, 35(4):475-480.

应变对单层砷烯结构拉曼散射的影响

Raman Scattering Modification in Monolayer Arsenene Controlled byStrain Engineering

RichHTML

PDF

可视化

摘要/Abstract

引用本文

使用本文

参考文献

相关文章 15

编辑推荐

Metrics

作者中心

审稿中心

期刊浏览

期刊介绍

[1]	李建伟, 项璇, 王景栋, 胡石, 陈铮, 贺元骅. 不同温度和扰动应变作用下纳米微裂纹的晶体相场研究[J]. 计算物理, 2022, 39(6): 717-726.
[2]	潘靖, 沈国华. 等价阴-阳离子共掺杂调节ZnO的能带结构及其光催化活性[J]. 计算物理, 2021, 38(3): 371-378.
[3]	温淑敏, 姚世伟, 赵春旺, 王细军, 李继军. 应变对纤锌矿结构GaN电子结构及光学性质的影响[J]. 计算物理, 2020, 37(1): 119-126.
[4]	熊宗刚, 杜娟, 张现周. 二维GeSe纳米片五族和七族原子掺杂的受主和施主杂质态[J]. 计算物理, 2019, 36(6): 733-741.
[5]	马江将, 李克训, 周必成, 谷建宇, 贾琨. 缺陷位置对单层石墨烯拉伸形变的影响[J]. 计算物理, 2018, 35(4): 475-480.
[6]	温淑敏, 姚世伟, 赵春旺, 王细军, 侯清玉. 单轴应变对氮化铟电子结构及光学性质的影响[J]. 计算物理, 2017, 34(6): 722-730.
[7]	李永, 李海生, 李冠亚, 王赵武, 李国岭, 左正伟, 李立本. 合金效应加强水分子在PtRu_n团簇上的吸附作用[J]. 计算物理, 2017, 34(2): 230-236.
[8]	杨璞, 牛红攀, 肖世富. 平面应变问题广义有限元法[J]. 计算物理, 2016, 33(3): 358-366.
[9]	张若兴, 侯士敏, 丑强. 基于第一性原理量子输运模拟的并行计算[J]. 计算物理, 2015, 32(6): 631-638.
[10]	陈金繁, 罗超, 敖冰云, 彭丽霞, 石洁. V-Ta合金力学行为的计算与实验研究[J]. 计算物理, 2014, 31(5): 609-616.
[11]	高英俊, 罗志荣, 邓芊芊, 黄礼琳, 林葵. 韧性材料的微裂纹扩展与分叉的晶体相场模拟[J]. 计算物理, 2014, 31(4): 471-478.
[12]	李祥然, 李丹, 王春雷, 牛原, 赵红敏, 梁春军. F原子吸附TiO₂:Mn(001)稀磁半导体薄膜电子结构和磁性的第一性原理计算[J]. 计算物理, 2014, 31(1): 96-102.
[13]	王芳, 李英骏, 张广财, 唐炼, 龙志飞. 光弹材料载荷过程中红外辐射特征机理的计算分析[J]. 计算物理, 2010, 27(2): 251-256.
[14]	李磊, 李丹, 刘世勇, 赵翼. Mn掺杂的ZnS(001)表面的电子态特性[J]. 计算物理, 2010, 27(2): 293-298.
[15]	荆宇航, 孟庆元. 单壁氮化硼纳米管压缩特性的分子动力学模拟[J]. 计算物理, 2009, 26(2): 281-286.