138 citations · 159 across the 3 of their papers we have counts for
4 papers
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 Iron-Based Superconductors LaFeAsO and LaFePO
Kazuma Nakamura, Ryotaro Arita, Masatoshi Imada
Effective Hamiltonians for LaFeAsO and LaFePO are derived from the downfolding scheme based on first-principles calculations and provide insights for newly discovered superconducti…
Optical Absorption Study by Ab initio Downfolding Approach: Application to GaAs
Kazuma Nakamura, Yoshihide Yoshimoto, Ryotaro Arita +2
We examine whether essence and quantitative aspects of electronic excitation spectra are correctly captured by an effective low-energy model constructed from an {\em ab initio} dow…
First-principles Calculation of Effective Onsite Coulomb Interaction of 3d Transition Metals: Constrained Local Density Functional Approach with Maximally Localized Wannier Function
Kazuma Nakamura, Ryotaro Arita, Yoshihide Yoshimoto +1
We present a new ab initio method for calculating effective onsite Coulomb interactions of itinerant and strongly correlated electron systems. The method is based on constrained lo…