Structural, elastic, electronic, magnetic and thermal properties of X3FeO4 (X = mg, ca and Sr) materials

Structural, elastic, electronic, magnetic and thermal properties of X3FeO4 (X = mg, ca and Sr) materials

Abstract This prediction evaluates the different physical characteristics of magnetic materials X3FeO4 (X = Mg, Ca and Sr) by using density functional theory (DFT). The generalized gradient approximation (GGA) approach is chosen to define the exchange and correlation potential. The structural study...

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Bibliographic Details
Main Authors: Mohammed El Amine Monir, Abdelkarim Bendoukha Reguig, M. A. Ghebouli, K. Bouferrache, Faisal Katib Alanazi, M. Fatmi, H. Bouandas
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:Scientific Reports
Subjects:
X3FeO4 (X = mg, ca and Sr) compounds
Elastic constants
Half-metallic gap
Curie temperature
Magnetic moments
GGA + U
Online Access:https://doi.org/10.1038/s41598-025-87466-x
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