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Discovering new two-dimensional topological insulators from computational screening
Thomas Olsen, Erik Andersen, Takuya Okugawa +3
We have performed a computational screening of topological two-dimensional (2D) materials from the Computational 2D Materials Database (C2DB) employing density functional theory. A…
Efficient Charge Separation in 2D Janus van der Waals Structures with Build-in Electric Fields and Intrinsic p-n Doping
Anders C. Riis-Jensen, Mohnish Pandey, Kristian S. Thygesen
Janus MoSSe monolayers were recently synthesised by replacing S by Se on one side of MoS (or vice versa for MoSe). Due to the different electronegativity of S and Se these…
Edge-dependent reflection and inherited fine structure of higher-order plasmons in graphene nanoribbons
Kåre Obel Wedel, N. Asger Mortensen, Kristian S. Thygesen +1
We investigate higher-order plasmons in graphene nanoribbons, and present how electronic edge states and wavefunction fine structure influence the graphene plasmons. Based on neare…
Emergent scale invariance of non-classical plasmons in graphene nanoribbons
Kåre Obel Wedel, N. Asger Mortensen, Kristian S. Thygesen +1
Using a nearest-neighbor tight-binding model we investigate quantum effects of plasmons on few-nanometer wide graphene nanoribbons, both for zigzag and armchair edge terminations.…
Nano-imaging of intersubband transitions in van der Waals quantum wells
Peter Schmidt, Fabien Vialla, Simone Latini +11
The science and applications of electronics and optoelectronics have been driven for decades by progress in growth of semiconducting heterostructures. Many applications in the infr…
The Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals
Sten Haastrup, Mikkel Strange, Mohnish Pandey +12
We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around…