journal article Jan 18, 2023

Hole polarons in LaFeO3 and La1−xSrxFeO3−δ : Stability, trapping, mobility, effect of Sr concentration, and oxygen vacancies

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References
65
[21]
Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof

Physical Review Letters 10.1103/physrevlett.77.3865
[22]
Projector augmented-wave method

P. E. Blöchl

Physical Review B 10.1103/physrevb.50.17953
[27]
T. Das Understanding Oxygen Vacancy Formation, Interaction, Transport, and Strain in SOFC Components via Combined Thermodynamics and First Principles Calculations (2017)
[31]
Special quasirandom structures

Alex Zunger, S.-H. Wei, L. G. Ferreira et al.

Physical Review Letters 10.1103/physrevlett.65.353
[32]
The alloy theoretic automated toolkit: A user guide

A. van de Walle, M. Asta, G. Ceder

Calphad 10.1016/s0364-5916(02)80006-2
[35]
Vacancies and small polarons inSrTiO3

Anderson Janotti, Joel B. Varley, Minseok Choi et al.

Physical Review B 10.1103/physrevb.90.085202
[40]
Hybrid functionals based on a screened Coulomb potential

Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof

The Journal of Chemical Physics 10.1063/1.1564060
[42]
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

G. Kresse, J. Furthmüller

Physical Review B 10.1103/physrevb.54.11169
[45]
Q. Liu Synthesis, characterization and investigation on the magnetic and electronic structure of strontium iron oxides (2013)

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Published
Jan 18, 2023
Vol/Issue
107(2)
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Funding
Horizon 2020
Cite This Article
Cintia Hartmann, Jérôme Laurencin, Grégory Geneste (2023). Hole polarons in LaFeO3 and La1−xSrxFeO3−δ : Stability, trapping, mobility, effect of Sr concentration, and oxygen vacancies. Physical Review B, 107(2). https://doi.org/10.1103/physrevb.107.024104
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