文献类型：期刊文献

英文题名：Intramolecularly resolved Kondo resonance of high-spin Fe(II)-porphyrin adsorbed on Au(111)

作者：Wang, Weihua[1];Pang, Rui[2];Kuang, Guowen[1];Shi, Xingqiang[2];Shang, Xuesong[3,4];Liu, Pei Nian[3,4];Lin, Nian[1]

机构：[1]Hong Kong Univ Sci & Technol, Dept Phys, Hong Kong, Hong Kong, Peoples R China;[2]South Univ Sci & Technol China, Shenzhen, Peoples R China;[3]E China Univ Sci & Technol, Shanghai Key Lab Funct Mat Chem, Shanghai 200237, Peoples R China;[4]E China Univ Sci & Technol, Inst Fine Chem, Shanghai 200237, Peoples R China

年份：2015

卷号：91

期号：4

外文期刊名：PHYSICAL REVIEW B

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000351218400009)】；

基金：This work was supported by Hong Kong RGC (Grant No. 603611) and National Science Foundation of China (Grants No. 11474145, No. 11334003, and No. 11104272). R.P. and X.S. also thank the National Supercomputing Center in Shenzhen for providing computation time.

语种：英文

摘要：Using cryogenic scanning tunneling microscopy, we measured the electronic states and Kondo resonance of single Fe(II)-porphyrin molecules adsorbed on a Au(111) surface with intramolecular resolution. We found that the Fe(II) ion introduces a spin-polarized molecular state near the Fermi level. Tunneling spectroscopy revealed that this state gives rise to Kondo resonance exhibiting characteristics different from those of the Fe(II) spin state. Spin-polarized density functional theory calculations revealed that the molecule was weakly adsorbed on the surface, yet still switches its spin configuration from S = 1 to 2. The spin switching was found to be driven by three effects: a structural distortion of the macrocyclic ring from planar to saddle shaped, a weak chemical bonding between the Fe and the Au surface atom underneath, and weakened Fe-N bonds due to Au(111)-molecule charge transfer.