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Magnetism in A V3Sb5 (A=Cs, Rb, and K): Origin and Consequences for the Strongly Correlated Phases
Department of Chemical and Biological Sciences, S. N. Bose National Centre for Basic Sciences, Block JD, Sector-III, SaltLake, Kolkata 700 106, India.
School of Physical Sciences, National Institute of Science Education and Research HBNI, Jatni - 752050, Odisha, India.
KTH, Skolan för teknikvetenskap (SCI), Fysik, Kondenserade materiens teori. KTH, Skolan för elektroteknik och datavetenskap (EECS), Centra, Parallelldatorcentrum, PDC.ORCID-id: 0000-0003-0210-4340
KTH, Skolan för teknikvetenskap (SCI), Tillämpad fysik, Material- och nanofysik. KTH, Centra, SeRC - Swedish e-Science Research Centre.ORCID-id: 0000-0001-7788-6127
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2023 (engelsk)Inngår i: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 131, nr 19, artikkel-id 196702Artikkel i tidsskrift (Fagfellevurdert) 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.

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American Physical Society (APS) , 2023. Vol. 131, nr 19, artikkel-id 196702
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URN: urn:nbn:se:kth:diva-340287DOI: 10.1103/PhysRevLett.131.196702ISI: 001155751900003PubMedID: 38000423Scopus ID: 2-s2.0-85177068595OAI: oai:DiVA.org:kth-340287DiVA, id: diva2:1816141
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QC 20231201

Tilgjengelig fra: 2023-12-01 Laget: 2023-12-01 Sist oppdatert: 2024-02-29bibliografisk kontrollert

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