Merging GW with DMFT and non-local correlations beyond
We review recent developments in electronic structure calculations that go beyond state-of-
the-art methods such as density functional theory (DFT) and dynamical mean field theory …
the-art methods such as density functional theory (DFT) and dynamical mean field theory …
Towards ab initio calculations with the dynamical vertex approximation
While key effects of the many-body problem—such as Kondo and Mott physics—can be
understood in terms of on-site correlations, non-local fluctuations of charge, spin, and …
understood in terms of on-site correlations, non-local fluctuations of charge, spin, and …
Multitier self-consistent
We discuss a parameter-free and computationally efficient ab initio simulation approach for
moderately and strongly correlated materials, the multitier self-consistent GW+ EDMFT …
moderately and strongly correlated materials, the multitier self-consistent GW+ EDMFT …
[HTML][HTML] The electronic structure of ε-Ga2O3
The electronic structure of ε-Ga 2 O 3 thin films has been investigated by ab initio
calculations and photoemission spectroscopy with UV, soft, and hard X-rays to probe the …
calculations and photoemission spectroscopy with UV, soft, and hard X-rays to probe the …
Ab initio dynamical vertex approximation
Diagrammatic extensions of dynamical mean-field theory (DMFT) such as the dynamical
vertex approximation (D Γ A) allow us to include nonlocal correlations beyond DMFT on all …
vertex approximation (D Γ A) allow us to include nonlocal correlations beyond DMFT on all …
Formation of Hubbard-like bands as a fingerprint of strong electron-electron interactions in FeSe
We use angle-resolved photoemission spectroscopy (ARPES) to explore the electronic
structure of single crystals of FeSe over a wide range of binding energies and study the …
structure of single crystals of FeSe over a wide range of binding energies and study the …
High Carrier Mobility, Electrical Conductivity, and Optical Transmittance in Epitaxial SrVO3 Thin Films
The urgent need for more performant transparent conducting electrodes is stimulating
intensive research on oxide thin films based on early transition metals (eg, V, Nb, Mo, etc.) …
intensive research on oxide thin films based on early transition metals (eg, V, Nb, Mo, etc.) …
Internal consistency of multi-tier GW+EDMFT
The multi-tier GW+ EDMFT scheme is an ab-initio method for calculating the electronic
structure of correlated materials. While the approach is free from ad-hoc parameters, it …
structure of correlated materials. While the approach is free from ad-hoc parameters, it …
Self-consistent ladder dynamical vertex approximation
We present and implement a self-consistent D Γ A approach for multiorbital models and ab
initio materials calculations. It is applied to the one-band Hubbard model at various …
initio materials calculations. It is applied to the one-band Hubbard model at various …
Formation and Etching of the Insulating Sr‐Rich V5+ Phase at the Metallic SrVO3 Surface Revealed by Operando XAS Spectroscopy Characterizations
In the search of low cost and more efficient electronic devices, here the properties of SrVO3
transparent conductor oxide (TCO) thin film are investigated, both visible‐range optically …
transparent conductor oxide (TCO) thin film are investigated, both visible‐range optically …