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 clarification of their origins.It is found that the primary E12g mode and B12g mode are dominated by the interaction between a specific atom and its nearest neighbors while the A1g mode by the dimer interaction, and therefore red shift happens to the E12g /B12g phonons and blue shift to the A1g mode upon the number-of-layer is reduced.