Crystal Growth and Electronic Structure of Metal Substituted BaBiO 3

Single crystals of BaBiO 3 and BaBi 1- x Mo x O 3 were grown by slow cooling of the molten mixture. The quality of the crystal was improved by addition of the excess BaCO 3 of 20% to the mixture of starting materials with the cationic stoichiometry. Golden brown crystals grew, whose sizes ranged from 3×3×2 to 10×10×5 mm 3 . Quantitative analysis of BaBiO 3 showed that the atomic ratios, Ba/Bi, ranged in 0.92–1.14. The oxygen stoichiometry was estimated as 2.83±0.05. The mass density was more than 96% of the calculated one. The ceramic compounds, Ba 2 BiInO 6 and Ba 2 BiLaO 6 were synthesized, too. It was found from the powder X-ray diffraction analysis, that the volume of Ba 2 BiInO 6 is reduced by 5.3% of that of BaBiO 3 . The band structures of the compounds were examined by XPS. In Ba 2 BiInO 6 4 d level appeared below the valence band, while it was not observed in BaBi 0.92 Mo 0.08 O 3 .