3 papers
cond-mat.mtrl-sci2023
Emergent properties of van der Waals bilayers revealed by computational stacking
Sahar Pakdel, Asbjørn Rasmussen, Alireza Taghizadeh +3
Stacking of two-dimensional (2D) materials has emerged as a facile strategy for realising exotic quantum states of matter and engineering electronic properties. Yet, developments b…
cond-mat.mtrl-sci2021
Recent Progress of the Computational 2D Materials Database (C2DB)
M. N. Gjerding, A. Taghizadeh, A. Rasmussen +13
The C2DB is a highly curated open database organizing a wealth of computed properties for more than 4000 atomically thin two-dimensional (2D) materials. Here we report on new mater…
cond-mat.mes-hall2020
Oxygen vacancies nucleate charged domain walls in ferroelectrics
Urko Petralanda, Mads Kruse, Hugh Simons +1
We study the influence of oxygen vacancies on the formation of charged 180 domain walls in ferroelectric BaTiO using first principles calculations. We show that it is f…