Electronic structure and magnetic properties of the effective spin J eff = 1 2 two-dimensional triangular lattice K 3 Yb ( VO 4 ) 2 - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Physical Review B Année : 2021

Electronic structure and magnetic properties of the effective spin J eff = 1 2 two-dimensional triangular lattice K 3 Yb ( VO 4 ) 2

U. Voma
S. Bhattacharya
Edwin Kermarrec
J. Alam
  • Fonction : Auteur
Y. Jana
B. Sana
S. Panda

Résumé

We report the structural, magnetic, specific heat, and electronic structure studies of the material K3Yb(VO4)2, which has two-dimensional triangular layers constituted by rare-earth magnetic Yb 3+ ions. Magnetic susceptibility data shows the absence of magnetic long-range order down to 0.5 K. No bifurcation is observed between zero-field-cooled and field-cooled magnetic susceptibility data ruling out the possibility of spin-glassiness down to 0.5 K. From the fit to magnetic susceptibility data with Curie-Weiss law in the low-temperature region, the observed Curie-Weiss temperature (θ CW) is about −1 K, implying an antiferromagnetic coupling between the Yb 3+ ions. Magnetic field-dependent specific heat fits well with two-level Schottky behavior. The analysis of magnetization and specific heat data confirms that the Yb 3+ ion hosts the effective spin-1/2 state. To provide a microscopic understanding of the ground state nature of the titled material, we carried out state-of-the-art firstprinciple calculations based on density functional theory + Hubbard U (DFT+U) and density functional theory + dynamical mean-field theory (DFT+DMFT) approaches. Our calculations reveal that the system belongs to the novel class of spin-orbit driven Mott Hubbard insulators and possesses large in-plane magnetocrystalline anisotropy.

Mots clés

Fichier principal
Vignette du fichier
K3YbV2O8__RS_10-55_18-09-2021.pdf (5.89 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-04312166 , version 1 (28-11-2023)

Identifiants

Citer

U. Voma, S. Bhattacharya, Edwin Kermarrec, J. Alam, Y. Jana, et al.. Electronic structure and magnetic properties of the effective spin J eff = 1 2 two-dimensional triangular lattice K 3 Yb ( VO 4 ) 2. Physical Review B, 2021, 104 (14), pp.144411. ⟨10.1103/PhysRevB.104.144411⟩. ⟨hal-04312166⟩
5 Consultations
2 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More