1 citations · 1 across the 3 of their papers we have counts for
4 papers
Atomistic substrate relaxation effects in the band gaps of graphene on hexagonal boron nitride
Jiaqi An, Nicolas Leconte, Srivani Javvaji +2
We assess the impact of atomistic substrate lattice relaxation schemes in the primary band gap at charge neutrality and the secondary valence band gap of graphene on hexagonal boro…
Commensuration torques and lubricity in double moire systems
Nicolas Leconte, Youngju Park, Jiaqi An +1
We study the commensuration torques and layer sliding energetics of alternating twist trilayer graphene (t3G) and twisted bilayer graphene on hexagonal boron nitride (t2G/BN) that…
Electronic structure of lattice relaxed alternating twist tNG-multilayer graphene: from few layers to bulk AT-graphite
Nicolas Leconte, Youngju Park, Jiaqi An +2
We calculate the electronic structure of AA'AA'...-stacked alternating twist N-layer (tNG) graphene for N = 3, 4, 5, 6, 8, 10, 20 layers and bulk alternating twist (AT) graphite sy…
Relaxation Effects in Twisted Bilayer Graphene: a Multi-Scale Approach
Nicolas Leconte, Srivani Javvaji, Jiaqi An +2
We present a multi-scale density functional theory (DFT) informed molecular dynamics and tight-binding (TB) approach to capture the interdependent atomic and electronic structures…