Thermodynamic stability and disordering in LacSr1−cMnO3 solid solutions
作者： D. Fuks , L. Bakaleinikov , E.A. Kotomin , J. Felsteiner , A. Gordon
DOI: 10.1016/J.SSI.2005.10.014
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摘要: Abstract Two different types of ab initio electronic and atomic structure calculations for ordered solid solutions are combined with solution thermodynamics in a study the Sr-doped LaMnO 3 . Unlike Ba isostructural (Sr,Ba)TiO , Sr aggregation matrix potentially leading to decomposition into heterogeneous mixture SrMnO phases is energetically unfavorable. We demonstrate that particular 12.5% order–disorder transition occurs only at very high temperatures otherwise supposed be periodically distributed matrix.
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