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19 papers · 1 filter
Local and nonlocal electronic correlations at the metal-insulator transition in the Hubbard model in two dimensions
Maria Chatzieleftheriou, Silke Biermann, Evgeny A. Stepanov
Elucidating the physics of the single-orbital Hubbard model in its intermediate coupling regime is a key missing ingredient to our understanding of metal-insulator transitions in r…
On the cuprates' universal waterfall feature: evidence of a momentum-driven crossover
Benjamin Bacq-Labreuil, Chafic Fawaz, Yuichi Okazaki +13
We study two related universal anomalies of the spectral function of cuprates, so called waterfall and high-energy kink features, by a combined cellular dynamical mean-field theory…
Critical assessment of calculations for 2D materials: the example of monolayer MoS
Ronaldo Rodrigues Pela, Cecilia Vona, Sven Lubeck +3
Two-dimensional (2D) materials combine many fascinating properties that make them more interesting than their three-dimensional counterparts for a variety of applications. For exam…
Emergence of flat bands in the quasicrystal limit of boron nitride twisted bilayers
Lorenzo Sponza, Van Binh Vu, Elisa Serrano Richaud +2
We investigate the electronic structure and the optical absorption onset of close-to-30\degree twisted hexagonal boron nitride bilayers. Our study is carried out with a purposely d…
The three channels of many-body perturbation theory: , particle-particle, and electron-hole -matrix self-energies
Roberto Orlando, Pina Romaniello, Pierre-François Loos
We derive the explicit expression of the three self-energies that one encounters in many-body perturbation theory: the well-known self-energy, as well as the particle-particle…
Generating and grading 34 Optimized Norm-Conserving Vanderbilt Pseudopotentials for Actinides and Super Heavy Elements in the PseudoDojo
Christian Tantardini, Miroslav Iliaš, Matteo Giantomassi +3
In the last decades, material discovery has been a very active research field driven by the need to find new materials for many different applications. This has also included mater…