Ag/In lead‐free double perovskites

Machine learning bandgaps of double perovskites

The ability to make rapid and accurate predictions on bandgaps of double perovskites is of much practical interest for a range of applications. While quantum mechanical computations for high-fidelity bandgaps are enormously computation-time intensive and thus impractical in high throughput studies, informatics-based statistical learning approaches can be a promising alternative. Here we demonst...

Raman studies of A2MWO6 tungstate double perovskites.

The Raman spectra of seven A(2)MWO(6) tungstate double perovskites are analysed. Ba(2)MgWO(6) is a cubic double perovskite with Fm3[combining macron]m symmetry and its Raman spectrum contain three modes that can be assigned in a straightforward manner. A fourth mode, the asymmetric stretch of the [WO(6)](6-) octahedron, is too weak to be observed. The symmetry of Ba(2)CaWO(6) is lowered to tetr...

Phase diagram and influence of defects in the double perovskites

J. L. Alonso, L. A. Fernández, F. Guinea, F. Lesmes, and V. Martı́n-Mayor Departamento de Fı́sica Teórica, Facultad de Ciencias, Universidad de Zaragoza, 50009 Zaragoza, Spain Instituto de Biocomputación y Fı́sica de Sistemas Complejos (BIFI), Universidad de Zaragoza, 50009 Zaragoza, Spain Departamento de Fı́sica Teórica, Facultad de Ciencias Fı́sicas, Universidad Complutense de Madrid, 28040 Madrid...

Double Degeneracy and Jahn-Teller Effects in CMR Perovskites

Jahn-Teller (JT) electron-phonon coupling effects in the colossal magnetoresistance perovskite compounds La1−xAxMnO3 are investigated. Electronelectron correlations between two degenerate Mn eg orbitals are studied in the Gutzwiller approximation. The static JT distortion and antiadiabatic polaron effects are studied in a modified Lang-Firsov approximation. We find that (i) the electron or hole...

Magnetization of Re-based double perovskites: Noninteger saturation magnetization disclosed