Local force method for the ab initio tight-binding model with spin-dependent hopping

25 Mar 2020 Nomoto Takuya Koretsune Takashi Arita Ryotaro

To estimate the Curie temperature of metallic magnets from first principles, we develop a local force method for the tight-binding model having spin-dependent hopping derived from spin density functional theory. While spin-dependent hopping is crucial for the self-consistent mapping to the effective spin model, the numerical cost to treat such non-local terms in the conventional Green's function scheme is formidably expensive... (read more)

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  • STRONGLY CORRELATED ELECTRONS
  • MATERIALS SCIENCE