Open AccessTheoretical investigation EuTiO3 in three structures optical, electric and magnetic properties
Author(s) -
H. Zaari,
C. Azahaf,
N. Lakouari,
A. Benyoussef,
H. EzZahraouy,
A. El Kenz
Publication year - 2018
Publication title -
revista mexicana de física/revista mexicana de física
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.181
H-Index - 25
eISSN - 2683-2224
pISSN - 0035-001X
DOI - 10.31349/revmexfis.64.553
Subject(s) - tetragonal crystal system , multiferroics , antiferromagnetism , materials science , condensed matter physics , polarization (electrochemistry) , symmetry (geometry) , magnetic structure , phase (matter) , crystal structure , dielectric , ferroelectricity , physics , crystallography , chemistry , magnetic field , optoelectronics , magnetization , quantum mechanics , geometry , mathematics
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.