硒化钨拉曼光谱层数效应

Raman Spectrum Effect of Layer-WSe_2

应用键弛豫理论(BOLS)对层状硒化钨材料的拉曼光谱进行定量分析,得出了硒化钨层数与键参数的数值函数关系。澄清了硒化钨拉曼频移层数效应的内在起因:硒化钨层数增加时,拉曼振动模A1g发生蓝移是由于最近邻原子的影响;成键原子控制着硒化钨拉曼E12g模和B12g模的红移。

From the perspective of bond order-length-strength correlation and the local bond averaging approach,we have formulated the number-of-layer resolved Raman shifts of WSe2, with quantification of the referential origins from which the Raman shifts proceed and clarifi- cation of their origins. It is found that the primary E1/2g mode and B1/2g mode are dominated by the interaction between a specific atom and its nearest neighbors while the Alg mode by the dimer interaction, and therefore red shift happens to the E1/2g/B1/2g phonons and blue shift to the A1g mode upon the number-of-layer is reduced.