Metal-organic kagome systems as candidates to study spin liquids, spin ice or the quantum anomalous Hall effect - Groupe Nanosciences Accéder directement au contenu
Article Dans Une Revue Physical Review Materials Année : 2023

Metal-organic kagome systems as candidates to study spin liquids, spin ice or the quantum anomalous Hall effect

Résumé

We present the results of first-principle calculations using the Vienna Ab initio Simulation Package (VASP) for a class of organometallics labeled TM3C6O6 (TM = Sc, Ti, V, Cr, Fe, Co, Ni, and Cu) in the form of planar, two-dimensional, periodic freestanding layers. These materials, which can be produced by on-surface coordination on metallic surfaces, have a kagome lattice of TM ions. Calculating the structural properties, we show that all considered materials have local magnetic moments in the ground state, but four of them (with Fe, Co, Ni, and Cu) show spin-crossover behavior or switch between magnetic and nonmagnetic states by changing the lattice constant, which could be valuable for possible epitaxy routes on various substrates. Surprisingly, we find a very large richness of electronic and magnetic properties, qualifying these materials as highly promising metal-organic topological quantum materials. We find semiconductors with nearestneighbor ferromagnetic (FM) or antiferromagnetic (AFM) couplings for V, and Sc, Ti, and Cr, respectively, being of potential interest to study spin ice or spin liquids on the 2D kagome lattice. Other TM ion systems combine AFM couplings with metallic behavior (Fe and Ni) or are ferromagnetic kagome metals like Cu3C6O6 with band crossings at the Fermi surface. For the latter compound, the spin-orbit coupling is shown to be responsible for small gaps which makes them a candidate material to observe the quantum anomalous Hall effect.
Fichier principal
Vignette du fichier
for HAL.pdf (9.73 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-04303726 , version 1 (23-11-2023)

Identifiants

Citer

Adam Hassan Denawi, Xavier Bouju, Mathieu Abel, Johannes Richter, Roland Hayn. Metal-organic kagome systems as candidates to study spin liquids, spin ice or the quantum anomalous Hall effect. Physical Review Materials, 2023, 7, pp.074201. ⟨10.1103/physrevmaterials.7.074201⟩. ⟨hal-04303726⟩
29 Consultations
7 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More