以键弛豫理论和核壳模型为基础, 建立尺寸-键参数-拉曼谱三者统一的函数关系式, 得到了不同尺寸下的 Ⅳ 族材料键长、键能和配位数。阐明了小尺寸下的Ⅳ族材料拉曼谱发生红移是由于有效配位数缺失引起的。通过这一理论方法可以得到拉曼谱中含有的物理信息,极大地扩展拉曼散射技术的应用范围。

The correlation function of the size-bond parameter-Raman shift was formulated based on the bond order-length-strength (BOLS) correlation and core-shell model. The quantitative information of the bond length, bond energy and the effective atomic coordination number (CN) of the Ⅳ materials was obtained. It is clarified that the size-induced phonon softening arises intrinsically from the undercoordinated atoms. Developed approach empowers the Raman technique in deriving quantitative.