Exploring Doping Effects on Magnetocaloric, Magnetoelastic, and Magnetostriction Properties of Fe2AlB2: A First-Principles Study
Bipasa Samanta,
Yen Lee Loh,
Deniz Çakır
Abstract:Fe 2 AlB 2 boasts promising magnetocaloric properties and anisotropic magnetic behavior. This study explores the impact of elemental substitutions on its magnetic and magnetocaloric properties using density functional theory, the cluster expansion method, and Monte Carlo simulations. Results show that doping at Fe or B sites induces a rotation of the easy axis of magnetization and noticeably changes the magnitude of magnetic anisotropy energy. Predicted Curie temperatures are 308, 210, and 359 K for Fe 2 AlB 2… Show more
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