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cond-mat.mtrl-sci2020★ 44 cited
Towards fully automatized GW band structure calculations: What we can learn from 60.000 self-energy evaluations
Asbjørn Rasmussen, Thorsten Deilmann, Kristian S. Thygesen
We analyze a data set comprising 370 GW band structures composed of 61716 quasiparticle (QP) energies of two-dimensional (2D) materials spanning 14 crystal structures and 52 elemen…
cond-mat.mtrl-sci2020★ 28 cited
Anisotropic properties of monolayer 2D materials: an overview from the C2DB database
Luca Vannucci, Urko Petralanda, Asbjørn Rasmussen +2
We analyze the occurrence of in-plane anisotropy in the electronic, magnetic, elastic and transport properties of more than one thousand 2D materials from the C2DB database. We ide…