典型文献
Accurate assignment of double resonant Raman bands in Janus MoSSe monolayer from first-principles calculations
文献摘要：
Janus transition metal dichalcogenides(TMDs)structures,as a new type of two-dimensional layered ma-terials,have drawn increasing research efforts mostly by the Raman characterization technique since their successful synthesis.First-and second-order resonant Raman spectra(RRS)have been reported by exper-iments.But,unlike much interest paid to the first-order RRS,there has been so far no much discussion dedicated to the second-order double resonant Raman(DRR)bands and band assignments of Janus TMDs,which nevertheless is indispensable but hampered by the difficulty of calculations.In this work,we cal-culate the DRR spectra of Janus MoSSe monolayer within the first-principles framework and succeed in achieving accurate assignments of the DRR bands.The assignments are in agreement with our group the-oretical analysis.Moreover,taking advantage of its strain-sensitive feature,we calculate the DRR spectra under biaxial strain,and further verify the rationality of our assignments by analyzing strain-induced shift of the DRR bands.Our present study supplies an efficient strategy for quantitative understanding on the electron-phonon coupling in the Janus structures.
文献关键词：
中图分类号：
作者姓名：
Yujia Pang;Jianqi Huang;Teng Yang;Zhidong Zhang
作者机构：
Shenyang National Laboratory for Materials Science,Institute of Metal Research,Chinese Academy of Sciences,Shenyang 110016,China;School of Materials Science and Engineering,University of Science and Technology of China,Hefei 230026,China
文献出处：
引用格式：
[1]Yujia Pang;Jianqi Huang;Teng Yang;Zhidong Zhang-.Accurate assignment of double resonant Raman bands in Janus MoSSe monolayer from first-principles calculations)[J].材料科学技术（英文版）,2022(36):82-90
A类：
culate
B类：
Accurate,double,resonant,Raman,bands,Janus,MoSSe,monolayer,from,first,principles,calculations,transition,metal,dichalcogenides,TMDs,structures,new,type,two,dimensional,layered,terials,have,drawn,increasing,research,efforts,mostly,by,characterization,technique,since,their,successful,synthesis,First,second,order,spectra,RRS,been,reported,exper,iments,But,unlike,much,interest,paid,there,has,far,discussion,dedicated,DRR,assignments,which,nevertheless,indispensable,but,hampered,difficulty,In,this,we,within,framework,succeed,achieving,accurate,are,agreement,our,group,oretical,analysis,Moreover,taking,advantage,its,strain,sensitive,feature,calculate,biaxial,further,verify,rationality,analyzing,induced,shift,Our,present,study,supplies,efficient,strategy,quantitative,understanding,electron,phonon,coupling
AB值：
0.581076
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