Theoretical investigation EuTiO3 in three structures optical, electric and magnetic properties

Authors

  • H. Zaari Faculty of Sciences, Mohammed V University of Rabat.
  • C. Azahaf Faculty of Sciences, Mohammed V University of Rabat.
  • noureddine lakouari Facultad de Ciencias Químicas e Ingeniería, Universidad Autónoma Del Estado de Morelos, Av. Universidad 1001, Col. Chamilpa, 62209, Cuernavaca, Morelos, Mexico http://orcid.org/0000-0002-7180-1038
  • A. Benyoussef Faculty of Sciences, Mohammed V University of Rabat.
  • H. EZ-Zahraouy Faculty of Sciences, Mohammed V University of Rabat.
  • A. El Kenz Faculty of Sciences, Mohammed V University of Rabat.

DOI:

https://doi.org/10.31349/RevMexFis.64.553

Keywords:

Multiferroic order, magnetic coupling, polarization, Wien2K

Abstract

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 octahedral, 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 of Pm-3m, P4mm and I4-mcm structures, and the influence of some parameters on the magnetic coupling and the electrical polarization.

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Published

2018-10-31

How to Cite

[1]
H. Zaari, C. Azahaf, noureddine lakouari, A. Benyoussef, H. EZ-Zahraouy, and A. El Kenz, “Theoretical investigation EuTiO3 in three structures optical, electric and magnetic properties”, Rev. Mex. Fís., vol. 64, no. 6 Nov-Dec, pp. 553–558, Oct. 2018.

Issue

Vol. 64 No. 6 Nov-Dec (2018): Revista Mexicana de Física

Section

05 Condensed Matter

License

Authors retain copyright and grant the Revista Mexicana de Física right of first publication with the work simultaneously licensed under a CC BY-NC-ND 4.0 that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.