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



Document title: Theoretical investigation EuTiO3 in three structures; optical, electrical and magnetic properties
Journal: Revista mexicana de física
Database: PERIÓDICA
System number: 000460953
ISSN: 0035-001X
Authors: 1
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Institutions: 1Mohammed V University of Rabat, Faculty of Sciences, Rabat, Rabat-Sale. Marruecos
Year:
Season: Nov-Dic
Volumen: 64
Number: 6
Pages: 553-558
Country: México
Language: Inglés
Document type: Artículo
Approach: Analítico, teórico
English 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 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 of Pm-3m, P4mm and I4-mcm structures, and the influence of some parameters on the magnetic coupling and the electrical polarization
Disciplines: Física y astronomía
Keyword: Física,
Orden multiferroso,
Acoplamiento magnético,
Polarización,
Wien2K
Keyword: Physics,
Multiferroic order,
Magnetic coupling,
Polarization,
Wien2K
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