High-Resolution Molecular Orbital Imaging Using a p-Wave STM Tip
High-Resolution Molecular Orbital Imaging Using a p-Wave STM Tip
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DOI：
10.1103/physrevlett.107.086101
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发表时间：
2011-08-15
影响因子：
8.6
通讯作者：
Persson, Mats
中科院分区：
文献类型：
--
作者：
Gross, Leo;Moll, Nikolaj;Persson, Mats
采用co功能化尖端扫描隧道显微镜研究了Cu（111）表面生长的双分子层NaCl对并五苯和萘菁的吸附。边界分子轨道的图像显示出比裸尖端的图像更高的横向分辨率，并反映了波函数横向梯度的模量平方。这种对比可以通过CO分子的p波轨道隧穿来解释。与使用Tersoff-Hamann方法（包括s波和p波尖端状态）的计算进行比较，证明了p波尖端状态的重要贡献。
Individual pentacene and naphthalocyanine molecules adsorbed on a bilayer of NaCl grown on Cu(111) were investigated by means of scanning tunneling microscopy using CO-functionalized tips. The images of the frontier molecular orbitals show an increased lateral resolution compared with those of the bare tip and reflect the modulus squared of the lateral gradient of the wave functions. The contrast is explained by tunneling through the p-wave orbitals of the CO molecule. Comparison with calculations using a Tersoff-Hamann approach, including s- and p-wave tip states, demonstrates the significant contribution of p-wave tip states.