Electronic structures and X-ray photoele
β
T.A. Sasaki; K. Kiuchi
π
Article
π
1981
π
Elsevier Science
π
English
β 474 KB
Electronic structures of Moo2 (4d2) and molybdatc (4d") are calculated by the discrete-variational Xa method employing [hlo20101'F and [hl004]~-clusters. The calculations indicate that the hlo-0 bond is more covalent in the molybdatc than in hloO2. Lcvcl swucturcs for the valence band region arc in