Electronic structure of TDAE-C-60 complex

被引:32
作者
Hino, S
Umishita, K
Iwasaki, K
Tanaka, K
Sato, T
Yamabe, T
Yoshizawa, K
Okahara, K
机构
[1] KYOTO UNIV,GRAD SCH ENGN,DEPT MOL ENGN,SAKYO KU,KYOTO 60601,JAPAN
[2] INST FUNDAMENTAL CHEM,SAKYO KU,KYOTO 606,JAPAN
关键词
D O I
10.1021/jp970192t
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Ultraviolet and C Is and N Is X-ray photoelectron spectra of a ferromagnetic charge-transfer complex, TDAE-C-60, where TDAE is tetrakis(dimethylamino)ethylene, have been measured. The appearance of a new peak above the highest occupied band of C-60 at 1.2 eV below the Fermi level with a peak onset of 0.5 eV indicates that an electron is transferred from TDAE to C-60 and that TDAE-C-60 is not metallic but semiconductive. The N Is core spectrum of the complex shows a wide band consisting of two components, and the intensity of the higher binding energy one decreases under X-ray irradiation. The observed components could be ascribed to nitrogen atoms in TDAE(0) and TDAE(2+) on the basis of the electrostatic potential model in combination with the CNDO/2 molecular orbital calculation. Possible appearance of the charge density wave state along the TDAE chain in the c-direction of TDAE-C-60 crystal has been suggested.
引用
收藏
页码:4346 / 4350
页数:5
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