2D and layered materials
Emmanuele Cappelluti -
Andrea Marini -
Davide Sangalli -
Conor Hogan -
Marco D'Alessandro -
Ab initio simulations & Minimal modeling (low-energy, tight-binding) of electronic and optical properties of layered materials
CASE STUDIES
- Lui, CH, et al.
Observation of an electrical tunable band gap in trilayer graphene
Nat. Phys. 2011, 7, 944
- Cappelluti, E et al.
Tight-binding model and direct-gap/indirect-gap transition in single-layer and multi-layer MoS2
Phys. Rev. B 2013, 88, 075409
- A Molina-Sánchez, D Sangalli, K Hummer, A Marini, L Wirtz
Effect of spin-orbit interaction on the optical spectra of single-layer, double-layer, and bulk MoS2
Physical Review B 88 , 045412 (2013)
- Molina-Sánchez, A.; Palummo, M.; Marini, A. & Wirtz, L.
Temperature-dependent excitonic effects in the optical properties of single-layer MoS2
Phys. Rev. B, 2016, 93, 155435
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