Structural, electronic and magnetic properties of the CuFeO2 multiferroic compound

Structural, electronic and magnetic properties of the CuFeO2 multiferroic compound

The structural, electronic and magnetic properties of the delafossite material CuFeO2 were studied using Density Functional Theory (DFT) combined with Monte Carlo simulation (MCS). The structural stability was verified in this work and showed that this material is antiferromagnetic (AFM). The densit...

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Bibliographic Details
Main Authors: A. Maouhoubi, L. Ouzaroual, Y. Toual, S. Mouchou, F. Mezzat, A. Azouaoui, H. Ez-Zahraouy, A. Hourmatallah, K. Bouslykhane, N. Benzakour
Format: Article
Language:English
Published: Elsevier 2024-01-01
Series:Arabian Journal of Chemistry
Subjects:
CuFeO2
GGA＋ U
TB-mBJ
Monte Carlo simulation
Antiferromagnetic
Online Access:http://www.sciencedirect.com/science/article/pii/S1878535223008997

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http://www.sciencedirect.com/science/article/pii/S1878535223008997

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