69 citations · 98 across the 5 of their papers we have counts for
6 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…
Moiré flat bands and antiferroelectric domains in lattice relaxed twisted bilayer hexagonal boron nitride under perpendicular electric fields
Fengping Li, Dongkyu Lee, Nicolas Leconte +2
Local interlayer charge polarization of twisted bilayer hexagonal boron nitride (t2BN) is calculated and parametrized as a function of twist angle and perpendicular electric fields…
Ab initio tight-binding Models for Mono- and Bilayer Hexagonal Boron Nitride (h-BN)
Srivani Javvaji, Fengping Li, Jeil Jung
Hexagonal boron nitride (-BN) exhibits dominant -bands near the Fermi level, similar to graphene. However, unlike graphene, where tight-binding (TB) models accurately rep…
Topological flat bands without magic angles in massive twisted bilayer graphenes
Srivani Javvaji, Jinhua Sun, Jeil Jung
Twisted bilayer graphene (TBG) hosts nearly flat bands with narrow bandwidths of a few meV at certain {\em magic} twist angles. Here we show that in twisted gapped Dirac material b…
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…
Pressure Induced Compression of Flatbands in Twisted Bilayer Graphene
Bheema Lingam Chittari, Nicolas Leconte, Srivani Javvaji +1
We investigate the bandwidth compression due to out of plane pressure of the moire flatbands near charge neutrality in twisted bilayer graphene for a continuous range of small rota…