3 papers
cond-mat.mes-hall2026
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…
cond-mat.mtrl-sci2024
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 re…
cond-mat.mes-hall2024
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…