晶体结构
等结构
材料科学
价(化学)
电子结构
谱线
电子能带结构
氧化物
结晶学
价电子
电子
凝聚态物理
化学
物理
有机化学
量子力学
天文
冶金
出处
期刊:Ferroelectrics
[Informa]
日期:2001-03-01
卷期号:254 (1): 319-328
被引量:1
标识
DOI:10.1080/00150190108215011
摘要
Abstract The investigated objects were ATiO3, ALn2Ti4O12 (A = Ca, Sr, Ba, Cd, Pb; Mg, Fe), ZrTiO4, HfTiO4 and also some oxides used for these compounds synthesis. There were well-known ferroelectrics in the row. Ti-contained compounds crystal structure had different type, but in all cases structure possessed of Ti-containing oxygen octahedrons. X-ray TiLα-and O Kα-emission spectra, characterized valence band structure, were obtained. The composition and crystal structure influence on spectra (and objects electron distribution) was examined. A principal similarity of the Ti 3d-states distribution was found for all Ti-contained compounds. This caused the electronic structure common features. O2p-distribution in titanates included main features of TiO2 and oxides AO-and AO2-type. Dependence of spectra fine structure (and band structure) on A-components in the isostructural compounds groups were showed. First and second coordinate polyhedrons influence on spectra was analyzed. Titanates electron structure features were determined. The compounds band structure genesis was shown by comparison titanates and TiO2, ZrO2 and AO-oxides spectra. The ALn2Ti4O12 electron structure prognosis was done.
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