caa a22 4500 477059643 CHVBK 20180405111356.0 cr unu---uuuuu 170330e19961001xx s 000 0 eng 10.1007/BF02437140 doi (NATIONALLICENCE)springer-10.1007/BF02437140 Band structures of a series of alkali metal chlorates and perchlorates [Elektronische Daten] [Yu. Zhuravlev, A. Poplavnoi] Calculations of the band structures and densities of electronic states have been carried out for cubic NaClO4, CClO4, RbClO4, CsClO4, NaClO3, and rhombohedral RbClO3 with one formula unit per unit cell using the empirical pseudopotential method with a basis of a plane wave expansion of localized Slater orbitals. The valence bands of these compounds are comparatively narrow and are formed by states of anion origin. The conduction bands are separated into two subbands which have predominantly anion and cation character respectively. A qualitatively different character of the anion-cation hybridization of the upper filled and lower free states was established in the chlorates and perchlorates. A comparison of the data found with experimental photoelectic and optical spectra has been carried out. Plenum Publishing Corporation, 1997 Zhuravlev Yu aut Poplavnoi A. aut Russian Physics Journal Kluwer Academic Publishers-Consultants Bureau 39/10(1996-10-01), 952-955 1064-8887 39:10<952 1996 39 11182 https://doi.org/10.1007/BF02437140 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02437140 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Zhuravlev Yu aut NATIONALLICENCE 700 1- Poplavnoi A. aut NATIONALLICENCE 773 0- Russian Physics Journal Kluwer Academic Publishers-Consultants Bureau 39/10(1996-10-01), 952-955 1064-8887 39:10<952 1996 39 11182 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer