J. Phys. I France
Volume 3, Numéro 4, April 1993
Page(s) 1053 - 1058
DOI: 10.1051/jp1:1993176
J. Phys. I France 3 (1993) 1053-1058

Jellium sphere model in overlayer-substrate systems

Chen Lu-Jun1, Wang Ning2 and Luo Enze1

1  Department of Physics, Box 271, Xidian University, Xi'an, 710071, China
2  Beijing Vacuum Electronic Devices Research Institute, Beijing, 100016, China

(Received 22 May 1992, revised 30 September 1992, accepted 16 December 1992)

It was found in calculations that the jellium/slab model reduces the ability of the adsorbed atoms to attract the valence electrons. As a result, the calculated minimum of the work function is too low compared with the experiment. In this paper, as an improvement, we proposed a jellium sphere/slab model, in which the positive charge background is described by discrete jellium sphere. Test calculations show that this treatment lifts the work function minimum by 0.4 eV and 0.8 eV for Cs/W(001) and Cs/Ir(001) system, respectively, resulting in better agreement with experiments.

73.20Hb - 73.30Y - 79.60Gs

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