New 5H hexagonal perovskite-like oxides (the series ALa4Ti3RuO15, where A = Ca, Sr, Ba)

On the Structural and Electronic Factors

On the Structural and Electronic Factors Governing the Magnetic Properties of the Hexagonal Perovskite-Type Oxides AxBO3 (A=Ca, Sr, Ba; B=Co, Ni)

✍ M.-H. Whangbo; H.-J. Koo; K.-S. Lee; O. Gourdon; M. Evain; S. Jobic; R. Brec 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 332 KB

The hexagonal perovskite-type oxides A x BO 3 (A ‫؍‬ Ca, Sr, Ba; B ‫؍‬ Co, Ni) consist of (BO 3 ) chains made up of face-sharing BO 6 octahedra and BO 6 trigonal prisms. On the basis of molecular orbital calculations for their structural building blocks we examined why the transition metal atoms in