Comparison between calculated and measured photoemission spectra of C60 thin films

被引:18
作者
Hasegawa, S [1 ]
Miyamae, T
Yakushi, K
Inokuchi, H
Seki, K
Ueno, N
机构
[1] Inst Mol Sci, Okazaki, Aichi 444, Japan
[2] Nagoya Univ, Nagoya, Aichi 46401, Japan
[3] Chiba Univ, Chiba 263, Japan
关键词
photoemission intensity calculation; angle-resolved ultraviolet photoelectron spectra; C-60; single-scattering approximation; interference; spherical shell;
D O I
10.1016/S0368-2048(97)00208-9
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
The photon energy hv dependences of angle-resolved ultraviolet photoelectron spectra of C-60 were measured in the range of hv = 20-120 eV. They exhibited the same intensity oscillations as reported previously, and were compared with the calculated results. In the calculation we used the single-scattering approximation for the final state with the result of the STO-5G molecular orbital calculation for the initial state. The calculated hv dependences for the HOMO and NHOMO states agreed well with the measured results. This indicated that the oscillations originate from the interference of photoelectron waves emanating from the 60 carbon atoms. Farther, the analytical calculation with the simplified initial state revealed that the spherical shell like molecular structure of C-60 with its large radius is the essential factor for the oscillations. (C) 1998 Elsevier Science B.V.
引用
收藏
页码:891 / 895
页数:5
相关论文
共 20 条
[1]   ELECTRONIC STATES OF SOLID C60 - SYMMETRIES AND PHOTOIONIZATION CROSS-SECTIONS [J].
BENNING, PJ ;
POIRIER, DM ;
TROULLIER, N ;
MARTINS, JL ;
WEAVER, JH ;
HAUFLER, RE ;
CHIBANTE, LPF ;
SMALLEY, RE .
PHYSICAL REVIEW B, 1991, 44 (04) :1962-1965
[3]   ANGLE-RESOLVED PHOTOEMISSION FROM MOLECULES IN INDEPENDENT-ATOMIC-CENTER APPROXIMATION [J].
GROBMAN, WD .
PHYSICAL REVIEW B, 1978, 17 (12) :4573-4585
[4]   ELECTRONIC-STRUCTURE AND BONDING IN ICOSAHEDRAL C-60 [J].
HADDON, RC ;
BRUS, LE ;
RAGHAVACHARI, K .
CHEMICAL PHYSICS LETTERS, 1986, 125 (5-6) :459-464
[5]   INTERMOLECULAR ENERGY-BAND DISPERSION IN ORIENTED THIN-FILMS OF BIS(1,2,5-THIADIAZOLO)-P-QUINOBIS(1,3-DITHIOLE) BY ANGLE-RESOLVED PHOTOEMISSION [J].
HASEGAWA, S ;
MORI, T ;
IMAEDA, K ;
TANAKA, S ;
YAMASHITA, Y ;
INOKUCHI, H ;
FUJIMOTO, H ;
SEKI, K ;
UENO, N .
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (09) :6969-6973
[6]   Angle-resolved photoemission from oriented thin films of naphthacene: Comparison with theoretical spectra [J].
Hasegawa, S ;
Inokuchi, H ;
Seki, K ;
Ueno, N .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1996, 78 :391-394
[7]   MOLECULAR-ORIENTATION IN THIN-FILMS OF BIS(1,2,5-THIADIAZOLO)-P-QUINOBIS(1,3-DITHIOLE) ON GRAPHITE STUDIED BY ANGLE-RESOLVED PHOTOELECTRON-SPECTROSCOPY [J].
HASEGAWA, S ;
TANAKA, S ;
YAMASHITA, Y ;
INOKUCHI, H ;
FUJIMOTO, H ;
KAMIYA, K ;
SEKI, K ;
UENO, N .
PHYSICAL REVIEW B, 1993, 48 (04) :2596-2600
[8]  
HASEGAWA S, IN PRESS
[9]   THEORY OF PHOTOEMISSION FROM LOCALIZED ADSORBATE LEVELS [J].
LIEBSCH, A .
PHYSICAL REVIEW B, 1976, 13 (02) :544-555
[10]   ANGLE-RESOLVED PHOTOELECTRON-SPECTROSCOPY OF C-60 [J].
LIEBSCH, T ;
PLOTZKE, O ;
HEISER, F ;
HERGENHAHN, U ;
HEMMERS, O ;
WEHLITZ, R ;
VIEFHAUS, J ;
LANGER, B ;
WHITFIELD, SB ;
BECKER, U .
PHYSICAL REVIEW A, 1995, 52 (01) :457-464