579 citations · 742 across the 4 of their papers we have counts for
4 papers
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…
Two-dimensional ferroelectrics from high throughput computational screening
Mads Kruse, Urko Petralanda, Morten N. Gjerding +3
We report a high throughput computational search for two-dimensional ferroelectric materials. The starting point is 252 pyroelectric materials from the computational 2D materials d…
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…
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…