Identifying materials with charge-spin physics using charge-spin susceptibility computed from first principles

J. N.B. Rodrigues, Lucas K. Wagner

Research output: Contribution to journalArticlepeer-review

Abstract

The authors present a quantity termed charge-spin susceptibility, which measures the charge response to spin degrees of freedom in strongly correlated materials. This quantity is simple to evaluate using both standard density functional theory and many-body electronic structure techniques, enabling comparison between different levels of theory. A benchmark on 28 layered magnetic materials shows that large values of charge-spin susceptibility correlate with unconventional ground states such as disordered magnets and unconventional superconductivity.

Original languageEnglish (US)
Article number074105
JournalJournal of Chemical Physics
Volume153
Issue number7
DOIs
StatePublished - Aug 21 2020
Externally publishedYes

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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