Hidden spin-orbital hexagonal ordering induced by strong correlations in LiVS${}_2$

Abstract

We present a first-principles many-body analysis of multi-orbital lattice susceptibilities in the metallic phase of the quasi-twodimensional compound LiVS${}_2$. We base this on advanced correlated electronic structure methods for the $t_{2g}$-shell to reveal a highly entangled spin-orbital hexagonal ordering (SOHO) bringing about an inherently intersite order parameter for the trimerization transition, which eventually leads to an intriguing insulating phase at low temperature.

References in corpus (11)

• Continuous-time Monte Carlo methods for quantum impurity models
• Strong electronic correlations from Hund's coupling
• TRIQS: A Toolbox for Research on Interacting Quantum Systems
• TRIQS/CTHYB: A Continuous-Time Quantum Monte Carlo Hybridization Expansion Solver for Quantum Impurity Problems
• Hastatic Order in URu2Si2
• On the mechanism for orbital-ordering in KCuF3
• Hidden Order Behaviour in URu2Si2 (A Critical Review of the Status of Hidden Order in 2014)
• Vanadium trimers randomly aligned along the c-axis direction in layered LiVO2
• Valence-skipping and negative-U in the d-band from repulsive local Coulomb interaction
• Orbital reformation with vanadium trimerization in $d^2$ triangular lattice LiVO${}_2$ revealed by ${}^{51}$V NMR
• Ultrafast filling of an electronic pseudogap in an incommensurate crystal

Cited by in corpus (2)

• LDA+DMFT approach to ordering phenomena and the structural stability of correlated materials
• Second-order phase transitions and divergent linear response in dynamical mean-field theory