303 citations · 1.9k across the 29 of their papers we have counts for
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Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe and FeTe: Electron Correlation and Covalency
Takashi Miyake, Kazuma Nakamura, Ryotaro Arita +1
Effective low-energy Hamiltonians for several different families of iron-based superconductors are compared after deriving them from the downfolding scheme based on first-principle…
Spin density functional study on magnetism of potassium loaded Zeolite A
Yoshiro Nohara, Kazuma Nakamura, Ryotaro Arita
In order to clarify the mechanism of spin polarization in potassium-loaded zeolite A, we perform {\em ab initio} density-functional calculations. We find that (i) the system compri…
The local atomic structure of superconducting Fe-Se-Te
Martin C. Lehman, Despina Louca, Kazumasa Horigane +9
We report on the first local atomic structure study via the pair density function (PDF) analysis of neutron diffraction data and show a direct correlation of local coordinates to T…
Ab initio Derivation of Low-Energy Model for Alkali-Cluster-Loaded Sodalites
Kazuma Nakamura, Takashi Koretsune, Ryotaro Arita
An effective low-energy model describing magnetic properties of alkali-cluster-loaded sodalites is derived by {\em ab initio} downfolding. We start with constructing an extended Hu…
Ab initio Derivation of Low-Energy Model for -ET Type Organic Conductors
Kazuma Nakamura, Yoshihide Yoshimoto, Taichi Kosugi +2
We derive effective Hubbard-type Hamiltonians of -(ET), using an {\em ab initio} downfolding technique, for the first time for organic conductors. They contain dispersions…