Downfolding and self-consistent GW+DMFT

量子物理学・ナノサイエンス第64回特別セミナー

概要

The GW+DMFT method provides a consistent scheme for the description of correlation and screening effects in lattice systems and a powerful tool for the study of nonequilibrium states [1,2]. We will discuss the formalism and its implementation for simple lattice models (single-orbital Hubbard and three-orbital "d-p” model) and investigate the effect of dynamical screening on the local interaction and spectral function. For the d-p model of charge transfer insulators, we demonstrate that the GW contribution to the self-energy is not relevant in equilibrium, but crucially important for the description of photo-excited states [3]. These model-level studies are a first step in the development of parameter-free ab-initio simulation approaches for correlated materials.

• [1] S. Biermann, F. Aryasetiawan, and A. Georges, Phys. Rev. Lett. 90, 086402 (2003).
• [2] D. Golez, L. Boehnke, M. Eckstein, and P. Werner, Phys. Rev. Lett. 118, 246402 (2017).
• [3] D. Golez, L. Boehnke, M. Eckstein, and P. Werner, arxiv:1808.02264 (2018).

• 量子物理学・ナノサイエンス第64回特別セミナー

• 量子物理学・ナノサイエンス先端研究センター 主催
• 東京工業大学理学院・物理学系 共催