Theoretical investigation EuTiO3 in three structures; optical, electrical and magnetic properties

• H. Zaari ^[1] ; C. Azahaf ^[1] ; N. Lakouari ^[1] ; A. Benyoussef ^[1] ; H. EZ-Zahraouy ^[1] ; A. El Kenz ^[1]
  1. [1] Mohammed V University of Rabat, Morocco
• Localización: Revista Mexicana de Física, ISSN-e 0035-001X, Vol. 64, Nº. 6, 2018, págs. 553-558
• Idioma: inglés
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• Resumen

  • 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