First-principles investigation on multiferroic properties of BiFeO3-REMnO3 (RE = Er, Eu, Gd, Ho, La, Tb)

2021 ◽  
pp. 102976
Author(s):  
Mohamed Ait Tamerd ◽  
Majid El Kassaoui ◽  
Brahim Abraime ◽  
Adil Marjaoui ◽  
Mimoun El Marssi ◽  
...  
Keyword(s):  
First Principles ◽  
Multiferroic Properties

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

2018 ◽  
Vol 64 (6) ◽  
pp. 553
Author(s):  
Noureddine Lakouari
Keyword(s):  
Magnetic Properties ◽  
Optical Properties ◽  
First Principles ◽  
Formation Energy ◽  
Magnetic Coupling ◽  
Order Type ◽  
Antiferromagnetic Order ◽  
High Symmetry ◽  
Multiferroic Properties ◽  
Structural Deformations

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.

Multiferroic properties of the PbTiO3/La2/3Sr1/3MnO3interface studied from first principles

2017 ◽  
Vol 29 (17) ◽  
pp. 175801 ◽  
Author(s):  
Vladislav Borisov ◽  
Sergey Ostanin ◽  
Ingrid Mertig
Keyword(s):  
First Principles ◽  
Multiferroic Properties

Preparation and multiferroicity of a novel two-dimensional material NiH2SeO4

2020 ◽  
Vol 8 (42) ◽  
pp. 14812-14818
Author(s):  
Bing Yu ◽  
Yang Shen ◽  
Shuai Yang ◽  
Dongdong Xu ◽  
Jianjun Lin ◽  
...  
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Multiferroic Properties

We have prepared a new two-dimensional material and used first-principles calculations to predict its multiferroic properties.

First-principles study of structural, electronic, and multiferroic properties in BiCoO3

2007 ◽  
Vol 126 (15) ◽  
pp. 154708 ◽  
Author(s):  
Meng-Qiu Cai ◽  
Ji-Cheng Liu ◽  
Guo-Wei Yang ◽  
Yun-Lun Cao ◽  
Xin Tan ◽  
...  
Keyword(s):  
First Principles ◽  
Multiferroic Properties ◽  
First Principles Study

Multiferroic hydrogenated graphene bilayer

2020 ◽  
Vol 22 (15) ◽  
pp. 7962-7968
Author(s):  
Jo Hsueh Lee ◽  
Cheng-Hung Cheng ◽  
Bo-Rong Liao ◽  
Shi-Hsin Lin
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Graphene Bilayer ◽  
Multiferroic Properties ◽  
Hydrogenated Graphene

We investigated the multiferroic properties of a hydrogenated graphene bilayer using first-principles calculations.

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