2D and layered materials

 

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