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- Vasala, Sami, et al. Show all 3 Authors
- Chemical communications 2019 v.55 no.12 pp. 1722-1725
- chemical communication; chemical reactions; magnetic properties; multivariate analysis; oxides; prediction
- ... Multivariate data analysis is a promising tool for structure–property data mining and new-material prediction in the field of inorganic materials chemistry. Here we demonstrate its usability in assessing the magnetic properties of one of the most intriguing and plural functional inorganic material families, the ordered perovskite oxides of the A₂B′B′′O₆ type. ...
- Vasala, Sami, et al. Show all 8 Authors
- Chemical communications 2019 v.55 no.8 pp. 1132-1135
- barium; chemical reactions; copper; liquids; magnetism; strontium; tellurium; tungsten
- ... The isostructural double perovskites Ba₂CuTeO₆ and Ba₂CuWO₆ are shown by theory and experiment to be frustrated square-lattice antiferromagnets with opposing dominant magnetic interactions. This is driven by differences in orbital hybridisation of Te⁶⁺ and W⁶⁺. A spin-liquid-like ground state is predicted for Ba₂Cu(Te₁₋ₓWₓ)O₆ solid solution similar to recent observations in Sr₂Cu(Te₁₋ₓWₓ)O₆. ...