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20052023
most citedComparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe and FeTe: Electron Correlation and Covalency

303 citations · 1.9k across the 29 of their papers we have counts for

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Showing 2021Show all

2 papers · 1 filter

cond-mat.str-el2021★ 22 cited

Electronic correlation strength of inorganic electrides from first principles

Shu Kanno, Tomofumi Tada, Takeru Utsumi +2

We present a systematic study clarifying an electronic correlation trend of electrides from first principles. By using the maximally localized Wannier function and the constrained…

cond-mat.str-el2021★ 18 cited

Ab initio Derivation of Low-Energy Hamiltonians for Systems with Strong Spin-Orbit Interaction and Its Application to Ca5Ir3O12

Maxime Charlebois, Jean-Baptiste Morée, Kazuma Nakamura +7

We present an ab initio derivation method for effective low-energy Hamiltonians of material with strong spin-orbit interactions. The effective Hamiltonian is described in terms of…