Effect of Electron Doping on Spectral Function of Cu-Oxide Cluster Model Including Full Multiplet : Shift of Valence Band Edge

概要

論文の詳細を見る
The effect of electron doping on the wave vector averaged 3d photoemission and inverse pho-toemission spectra is investigated for Cu-oxide fizaite clusters, including the intraatomic fullmultipole electrostatic interactions, by means of the recursiom method. It is s}town, by calcula-tions for clusters containing up to four Ctt atoms, that the doping leads to an upward shift ofthe upper edge of the main valence band relative to the d' + d' peak and a shift of the chemicalpotential (p) to the lower edge of the conduction bauad of undoped systems. Also the uppervalence band edge chauages its character from "d' + d'L" to "d" + d"' with mainly xy, yz, z'rand 3z' - r' symmetries. The "mid-gap jt." in doped nuetals inferred from experimental resultsis interpreted as a consequence of the disregard of the shift of tlae valence band relative to thed' peak dtre to finite electron doping.
社団法人日本物理学会の論文
1996-04-15