Loop currents in $A$V$_3$Sb$_5$ kagome metals: multipolar and toroidal magnetic orders

TL;DR

This paper investigates complex charge-ordered states in $A$V$_3$Sb$_5$ kagome metals, revealing multiple types of loop current and magnetic orders through theoretical modeling, which could be experimentally detected.

Contribution

It identifies and characterizes new mixed iCDW-rCDW states and their associated magnetic orders in kagome metals using combined theoretical approaches.

Findings

Identified seven types of iCDW orders based on van Hove singularities.

Discovered that certain charge orders induce exotic magnetic multipolar states.

Predicted unique magneto-electric properties for different charge-ordered states.

Abstract

Experiments in the recently discovered vanadium-based kagome metals have suggested that their charge-ordered state displays not only bond distortions, characteristic of a ``real" charge density-wave (rCDW), but also time-reversal symmetry-breaking, typical of loop currents described by an ``imaginary" charge density-wave (iCDW). Here, we combine density-functional theory, group-theory, and phenomenological modeling to investigate the complex charge-ordered states that arise from interactions between the low-energy van Hove singularities present in the electronic structure of $A$V$_3$Sb$_5$. We find two broad classes of mixed iCDW-rCDW configurations: triple-$\mathbf{Q}$ iCDW, triple-$\mathbf{Q}$ rCDW order, dubbed $3\mathbf{Q}$-$3\mathbf{Q}$, and double-$\mathbf{Q}$ iCDW, single-$\mathbf{Q}$ rCDW order, dubbed $2\mathbf{Q}$-$1\mathbf{Q}$. Moreover, we identify seven different types of iCDW order, stemming from the different vanadium-orbital and kagome-sublattice structures of the two pairs of van Hove singularities present above and below the Fermi level. While the $2\mathbf{Q}$-$1\mathbf{Q}$ states trigger an orthorhombic distortion that breaks the threefold rotational symmetry of the kagome lattice, the $3\mathbf{Q}$-$3\mathbf{Q}$ states induce various types of subsidiary uniform magnetic orders, from conventional ferromagnetism to magnetic octupolar, magnetic toroidal, and even magnetic monopolar order. We show that these exotic orders display unique magneto-striction, magneto-electric, and magneto-electric-striction properties that can be probed experimentally to identify which iCDW state is realized in these compounds. We briefly discuss the impact of an out-of-plane modulation of the charge order and the interplay between these complex charge-ordered states and superconductivity.