Calculation of the inelastic scanning tunneling image of acetylene on Cu(100)
Calculation of the inelastic scanning tunneling image of acetylene on Cu(100)
复制标题
Cu(100)上乙炔非弹性扫描隧道像的计算
DOI：
10.1103/physrevlett.84.3694
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发表时间：
2000
影响因子：
8.6
通讯作者：
Makoshi
中科院分区：
文献类型：
--
作者：
Mingo;Makoshi
用原子轨道的绿色函数线性组合方法，对C_2H_2分子吸附在Cu（100）表面的“非弹性”扫描隧道显微镜像进行了理论计算，并解释了以前的实验结果.我们用轨道分析了非弹性散射过程，发现C-H弯曲模的非弹性散射中存在相消干涉。这导致一个小得多的非弹性部分，由于弯曲模式相比，拉伸的，并解释了为什么前者不能观察到实验。
A Green function linear combination of atomic orbitals technique is used to theoretically calculate the "inelastic" scanning tunneling microscope image of a C2H2 molecule adsorbed on Cu(100) and explain previous experimental results. Our analysis of the inelastic scattering process in terms of the orbitals shows that a destructive interference occurs in the inelastic scattering by the C-H bending modes. This results in a much smaller inelastic fraction due to the bending modes as compared to the stretching ones, and explains why the former cannot be observed experimentally.