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cond-mat.mtrl-sci2022★ 64 cited
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…
cond-mat.mtrl-sci2022
Computational exfoliation of atomically thin 1D materials with application to Majorana bound states
Hadeel Moustafa, Peter Mahler Larsen, Morten N. Gjerding +3
We introduce a computational database with calculated structural, thermodynamic, electronic, magnetic, and optical properties of 820 one-dimensional materials. The materials are sy…