Chemistry of Materials · 2019 · 149 citations · 32 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsInorganic ChemistryMagnetic MaterialsMagnetic OxidesMagnetic Properties Of SolidsMagnetism In SolidsMagnetism Of Inorganic CompoundsPhase TransitionsTransition Metal ChemistryAnisotropyCrystallographic AnisotropyGround StatesKagome LatticesLayered MaterialsMagnetic Exchange InteractionsMagnetic PropertiesMagnetocrystalline Anisotropy
In 2017, we discovered quaternary i-MAX phases—atomically layered solids, where M is an early transition metal, A is an A group element, and X is C—with a (M12/3M21/3)2AC chemistry, where the M1 and M2 atoms are in-plane ordered. Herein, we report the discovery of a class of magnetic i-MAX phases in which bilayers of a quasi-2D magnetic frustrated triangular lattice overlay a Mo honeycomb arrangement and an Al Kagomé lattice. The chemistry of this family is (Mo2/3RE1/3)2AlC, and the rare-earth, RE, elements are Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, and Lu. The magnetic properties were characterized and found to display a plethora of ground states, resulting from an interplay of competing magnetic interactions in the presence of magnetocrystalline anisotropy.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17