Computational insights into the magnetoelectronic and half-metallic tendencies of K₂NaXI₆ (X = Sc, Ti, V) double perovskite compounds

Double perovskites have gained prominence in materials science due to their unique properties and diverse applications. Our study explores the magnetoelectronic characteristics of the K₂NaXI₆ series, where X is Sc, Ti, or V. We employed density functional theory (DFT) calculations using the PBEsol f...

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Bibliographic Details
Published in:	Journal of materials research Vol. 40; no. 5; pp. 718 - 726
Main Authors:	Kheir Allah, Mohammed, Bensaid, Djillali, Mokaddem, Khadidja, Bensafa, Imad Khaled, Nour-Eddine Benkhettou, Bencherif, Kaddour
Format:	Journal Article
Language:	English
Published:	Cham Springer International Publishing 14.03.2025 Springer Nature B.V
Subjects:	Alternative energy sources Applied and Technical Physics Approximation Biomaterials Bonding Charge distribution Chemistry and Materials Science Crystal structure Density functional theory Electron density Electron spin Electron transport Energy conversion Energy gap Inorganic Chemistry Iodine Magnetic properties Materials Engineering Materials Science Nanotechnology Optical properties Perovskites Potassium Titanium Vanadium Perovskites Ferromagnetic Spintronic Metal-insulator transition Computation/computing
ISSN:	0884-2914, 2044-5326
Online Access:	Get full text
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