@article{oai:nagoya.repo.nii.ac.jp:00007162, author = {Hino, Shojun and Kato, Masayuki and Yoshimura, Daisuke and Moribe, Hiroe and Umemoto, Hisashi and Ito, Yasuhiro and Sugai, Toshiki and Shinohara, Hisanori and Otani, Minoru and Yoshimoto, Yoshihide and Okada, Susumu}, issue = {12}, journal = {PHYSICAL REVIEW B}, month = {Mar}, note = {Ultraviolet photoelectron spectra (UPS) of metallofullerene, La2@C78 were measured using a synchrotronradiation light source. Its spectral onset energy was 0.70 eV below the Fermi level, indicating the semiconductive nature of this metallofullerene. The UPS consisted of numerous crests and troughs. Further, a change in intensity upon tuning the excitation energy was observed; however, the intensity of the change was not as large as those observed for other fullerenes. The UPS of La2@C78 differ considerably from those of Ti2C2@C78, although they are thought to have the same cage structure. Herein, this difference is explored using density-functional theory, and the origin of this difference was determined to be the hybridization of the π-electron wave functions.}, pages = {125418--125418}, title = {Effect of encapsulated atoms on the electronic structure of the fullerene cage: A case study on La2@C78 and Ti2C2@C78 via ultraviolet photoelectron spectroscopy}, volume = {75}, year = {2007} }