Resumen de Theoretical investigation EuTiO3 in three structures; optical, electrical and magnetic properties
H. Zaari, C. Azahaf, N. Lakouari, A. Benyoussef, Hamid Ez-Zahraouy, A. El Kenz
We present a systematic first-principles study of the structural, magnetic and optical properties of perovskite-structure EuTiO3. This compound exists in different structures: cubic, tetragonal and presents multiferroic properties. Comparing the formation energy between tetragonal and cubic structures, the system has a tendency to symmetry lowering structural deformations composed of rotations of the oxygen octahedra, especially the I4/mcm phase is the most stable structure. Our calculations of the high symmetry cubic structural prototype show an antiferromagnetic order type G. We discuss the dynamical stability
