Transition from Pauli paramagnetism to Curie-Weiss behavior in vanadium

نویسندگان

چکیده

We study electron correlations and their impact on magnetic properties of bcc vanadium by a combination density functional dynamical mean-field theory. The calculated uniform susceptibility in structure is Pauli type at low temperatures, while it obeys the Curie-Weiss law higher temperatures. Thus, we qualitatively reproduce experimental temperature dependence without introducing martensitic phase transition. Our results for local spin-spin correlation function reveal that behavior appears due to partial formation moments, which originate from ${t}_{2g}$ states occur spin caused Hund's rule coupling. At same time, fermionic quasiparticles remain well defined, moments accompanied deviation Fermi-liquid behavior. In particular, self-energy shows nonanalytic frequency dependence, characteristic spin-freezing behavior, quasiparticle damping changes approximately linearly with intermediate range 200--700 K. By analyzing momentum static susceptibility, find incommensurate correlations, may provide mechanism unconventional superconductivity

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ژورنال

عنوان ژورنال: Physical review

سال: 2023

ISSN: ['0556-2813', '1538-4497', '1089-490X']

DOI: https://doi.org/10.1103/physrevb.107.035116