Crucial role of out-of-plane Sb-$p$ orbitals in Van Hove singularity formation and electronic correlation for superconducting Kagome metal CsV$_3$Sb$_5$

Jeong, Min Yong; Yang, Hyeok-Jun; Kim, Hee Seung; Kim, Yong Baek; Lee, SungBin; Han, Myung Joon

doi:10.48550/arxiv.2203.09329

Cited by 1 publication

(1 citation statement)

References 72 publications

(160 reference statements)

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“…As shown in Fig. 1(c), electronic structure calculations using density-functional theory (DFT) predict two vHs below the Fermi level and two vHs above the Fermi level at the M point in the AV 3 Sb 5 materials [8,9,25,37,53,75,76]. This is consistent with results from angle-resolved photoemission spectroscopy (ARPES) [8,77].…”

Section: Orbital and Sublattice Character Of The Van Hove Singularitiessupporting

confidence: 80%

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

Christensen¹,

Birol²,

Andersen³

et al. 2022

Preprint

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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 densitywave (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, grouptheory, 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 AV3Sb5. We find two broad classes of mixed iCDW-rCDW configurations: triple-Q iCDW, triple-Q rCDW order, dubbed 3Q-3Q, and double-Q iCDW, single-Q rCDW order, dubbed 2Q-1Q. Moreover, we identify seven different types of iCDW order, stemming from the different vanadiumorbital and kagome-sublattice structures of the two pairs of van Hove singularities present above and below the Fermi level. While the 2Q-1Q states trigger an orthorhombic distortion that breaks the threefold rotational symmetry of the kagome lattice, the 3Q-3Q 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.

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Section: Orbital and Sublattice Character Of The Van Hove Singularitiessupporting

confidence: 80%

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

Christensen¹,

Birol²,

Andersen³

et al. 2022

Preprint

View full text Add to dashboard Cite

show abstract

Crucial role of out-of-plane Sb-$p$ orbitals in Van Hove singularity formation and electronic correlation for superconducting Kagome metal CsV$_3$Sb$_5$

Cited by 1 publication

References 72 publications

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

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

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