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2023 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 131, no 19, article id 196702Article in journal (Refereed) Published
Abstract [en]
The V-based kagome systems AV3Sb5 (A=Cs, Rb, and K) are unique by virtue of the intricate interplay of nontrivial electronic structure, topology, and intriguing fermiology, rendering them to be a playground of many mutually dependent exotic phases like charge-order and superconductivity. Despite numerous recent studies, the interconnection of magnetism and other complex collective phenomena in these systems has yet not arrived at any conclusion. Using first-principles tools, we demonstrate that their electronic structures, complex fermiologies and phonon dispersions are strongly influenced by the interplay of dynamic electron correlations, nontrivial spin-polarization and spin-orbit coupling. An investigation of the first-principles-derived intersite magnetic exchanges with the complementary analysis of q dependence of the electronic response functions and the electron-phonon coupling indicate that the system conforms as a frustrated spin cluster, where the occurrence of the charge-order phase is intimately related to the mechanism of electron-phonon coupling, rather than the Fermi-surface nesting.
Place, publisher, year, edition, pages
American Physical Society (APS), 2023
National Category
Condensed Matter Physics
Identifiers
urn:nbn:se:kth:diva-340287 (URN)10.1103/PhysRevLett.131.196702 (DOI)001155751900003 ()38000423 (PubMedID)2-s2.0-85177068595 (Scopus ID)
Note
QC 20231201
2023-12-012023-12-012024-02-29Bibliographically approved