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Schottky barrier lowering due to interface states in 2D heterophase devices
Line Jelver, Daniele Stradi, Kurt Stokbro +1
The Schottky barrier of a metal-semiconductor junction is one of the key quantities affecting the charge transport in a transistor. The Schottky barrier height depends on several f…
Minimum-Strain Symmetrization of Bravais Lattices
Peter M. Larsen, Edward L. Pang, Pablo A. Parrilo +1
Bravais lattices are the most fundamental building blocks of crystallography. They are classified into groups according to their translational, rotational, and inversion symmetries…
Materials property prediction using symmetry-labeled graphs as atomic-position independent descriptors
Peter Bjørn Jørgensen, Estefanía Garijo del Río, Mikkel N. Schmidt +1
Computational materials screening studies require fast calculation of the properties of thousands of materials. The calculations are often performed with Density Functional Theory…