Structural, ferroelectric, and optical properties of Bi3+ doped YFeO3: A first‐principles study

The orthoferrites with the general formula RFeO3 (R = Ho, Er, Lu, Sc, and Y) have recently attracted a great deal of attention because they are promising candidates for a second generation of multiferroic materials. In this computational work, the structural, ferroelectric and optical properties of...

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Veröffentlicht in:	International journal of quantum chemistry 2021-04, Vol.121 (7), p.n/a
Hauptverfasser:	Martínez‐Aguilar, Espiridión, Hmŏk, H'Linh, Ribas‐Ariño, Jordi, Siqueiros Beltrones, Jesús María, Lozada‐Morales, Rosendo
Format:	Artikel
Sprache:	eng
Schlagworte:	Antiferromagnetism Bismuth Chemistry Erbium Ferroelectric materials Ferroelectricity Lattice parameters Mathematical analysis Multiferroic materials Optical properties orthoferrite Perovskites Physical chemistry Polarization Quantum physics Skewed distributions Tensors Y0.75Bi0.25FeO3 YFeO3 Yttrium
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