Electronic structure and magnetic properties of transition metal kagome metal–organic frameworks
Seungjin Kang, Jaejun Yu
Abstract
From the first-principles calculations, we provide a microscopic understanding of the crystal structure, magnetic ground states, and anisotropy of a series of transition metal atoms and ligands of the two-dimensional kagome metal–organic frameworks.
Topics & Concepts
SuperexchangeMagnetismAntiferromagnetismAtomic orbitalIonic bondingCondensed matter physicsTransition metalFerromagnetismElectronic structureSpintronicsFermi levelMaterials scienceChemistryCrystal structureChemical physicsCrystallographyElectronIonPhysicsQuantum mechanicsOrganic chemistryBiochemistryCatalysisAdvanced Condensed Matter PhysicsTopological Materials and PhenomenaMultiferroics and related materials