Ab initio investigation of the magnetic and ferroelectric properties of double perovskites LaPbMeSbO6 (Me = Mn, Fe, Co, Ni)

2015 ◽  
Vol 57 (5) ◽  
pp. 983-991 ◽  
Author(s):  
V. S. Zhandun ◽  
V. I. Zinenko
Keyword(s):  
Ab Initio ◽  
Ferroelectric Properties ◽  
Double Perovskites

Spontaneous electric polarization and electric field gradient in hybrid improper ferroelectrics: insights and correlations

2021 ◽  
Author(s):  
Samuel Silva dos Santos ◽  
Michel L. Marcondes ◽  
Ivan P. Miranda ◽  
Pedro Rocha-Rodrigues ◽  
Lucy Vitória Credidio Assali ◽  
...  
Keyword(s):  
Electric Field ◽  
Electric Field Gradient ◽  
Ab Initio ◽  
Field Gradient ◽  
Electric Polarization ◽  
Double Perovskites

An ab-initio study for several hybrid improper ferroelectric (HIF) materials in the Ruddlesden-Popper phases and double perovskites structures is here presented. The focus is on the correlation between the electric...

Ab-initio study of lead-free double Perovskites Cs2AgZBr6 (Z = Bi, Sb) for Solar cells and other renewable energy applications

2022 ◽  
Vol 306 ◽  
pp. 122781
Author(s):  
Muhammad Waqas Mukhtar ◽  
M. Ramzan ◽  
Muhammad Rashid ◽  
Altaf Hussain ◽  
Muhammad Imran ◽  
...  
Keyword(s):  
Renewable Energy ◽  
Solar Cells ◽  
Ab Initio ◽  
Lead Free ◽  
Double Perovskites ◽  
Ab Initio Study ◽  
Energy Applications

scholarly journals Halide Pb-Free Double–Perovskites: Ternary vs. Quaternary Stoichiometry

Energies ◽  
2020 ◽  
Vol 13 (14) ◽  
pp. 3516
Author(s):  
Maurizia Palummo ◽  
Daniele Varsano ◽  
Eduardo Berríos ◽  
Koichi Yamashita ◽  
Giacomo Giorgi
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Synthesis And Characterization ◽  
Double Perovskites ◽  
Halide Perovskite

In view of their applicability in optoelectronics, we review here the relevant structural, electronic, and optical features of the inorganic Pb-free halide perovskite class. In particular, after discussing the reasons that have motivated their introduction in opposition to their more widely investigated organic-inorganic counterparts, we highlight milestones already achieved in their synthesis and characterization and show how the use of ab initio ground and excited state methods is relevant in predicting their properties and in disclosing yet unsolved issues which characterize both ternary and quaternary stoichiometry double-perovskites.

scholarly journals Optical Properties of Lead-Free Double Perovskites by Ab Initio Excited-State Methods

2020 ◽  
Vol 5 (2) ◽  
pp. 457-463 ◽  
Author(s):  
Maurizia Palummo ◽  
Eduardo Berrios ◽  
Daniele Varsano ◽  
Giacomo Giorgi
Keyword(s):  
Optical Properties ◽  
Excited State ◽  
Ab Initio ◽  
Lead Free ◽  
Double Perovskites
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