Ab initio Low-Dimensional Physics Opened Up by Dimensional Downfolding: Application to LaFeAsO
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概要
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An ab initio downfolding method is formulated to construct low-dimensional models for correlated electrons. In addition to band downfolding by a constrained random phase approximation formulated for 3D models, screening away from the target layer (chain) is further involved. Eliminating the off-target degrees of freedom, namely, dimensional downfolding, yields ab initio low-dimensional models. The method is applied to derive a 2D model for the layered superconductor LaFeAsO, where interlayer screening crucially makes the effective interaction short-ranged and reduces the onsite Coulomb interactions by 10–20% compared with the 3D model for the five iron-3d orbitals.
- 2010-12-15
著者
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Nakamura Kazuma
Department Of Applied Physics University Of Tokyo
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Imada Masatoshi
Department Of Applied Physics University Of Tokyo
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Yoshimoto Yoshihide
Departemnt Of Physics Faculty Of Science The University Of Tokyo
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Nohara Yoshiro
Department of Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-0033, Japan
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Yoshimoto Yoshihide
Department of Applied Mathematics and Physics, Tottori University, Tottori 680-8552, Japan
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Nakamura Kazuma
Department of Applied Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656, Japan
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