| Title | Correlation effects and electronic structure of Gd@C-60 |
| Authors | Sabirianov, R. F. Mei, W. N. Lu, Jing Gao, Y. Zeng, X. C. Bolskar, R. D. Jeppson, P. Wu, Ning Caruso, A. N. Dowben, P. A. |
| Affiliation | Univ Nebraska, Dept Phys, Omaha, NE 68182 USA. Univ Nebraska, Nebraska Ctr Mat & Nanosci, Lincoln, NE 68588 USA. Peking Univ, Dept Phys, Mesoscop Phys Lab, Beijing 100871, Peoples R China. Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA. TDA Res Corp, Wheat Ridge, CO 80033 USA. N Dakota State Univ, Ctr Nanoscale Sci & Engn, Fargo, ND 58102 USA. |
| Keywords | MRI CONTRAST AGENTS RESONANT PHOTOEMISSION SPECTROSCOPY FULLERENES |
| Issue Date | 2007 |
| Publisher | journal of physics condensed matter |
| Citation | JOURNAL OF PHYSICS-CONDENSED MATTER.2007,19,(8). |
| Abstract | We have investigated the electronic structure of Gd@C-60 using ab initio calculations, photoemission and resonant photoemission ( constant initial state spectroscopy). In comparing our calculations based on the local spin density approximation and the Hubbard model description with the observed photoemission spectra, we conclude that Gd 4f states exhibit enhanced correlation energies. These correlation energies have values larger than those normally observed in metallic gadolinium and gadolinium compounds. We attributed the enhanced correlation to the diminished screening of the encapsulated Gd. Both calculation and experiment confirm a strong hybridization between the valence states of Gd and the C 2p states of the fullerene cage. |
| URI | http://hdl.handle.net/20.500.11897/397856 |
| ISSN | 0953-8984 |
| DOI | 10.1088/0953-8984/19/8/082201 |
| Indexed | SCI(E) EI |
| Appears in Collections: | 物理学院 人工微结构和介观物理国家重点实验室 |
