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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Vydané v:	Journal of materials research Ročník 40; číslo 5; s. 718 - 726
Hlavní autori:	Kheir Allah, Mohammed, Bensaid, Djillali, Mokaddem, Khadidja, Bensafa, Imad Khaled, Nour-Eddine Benkhettou, Bencherif, Kaddour
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Cham Springer International Publishing 14.03.2025 Springer Nature B.V
Predmet:	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
On-line prístup:	Získať plný text
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