Germanium doping in graphene opens a bandgap and induces valley-contrasting Berry curvature and second harmonic generation, according to density functional theory calculations.
The reported results were calculated by employing the first -principle DFT methodology based on GGA-PBE potential and hybrid HSE06 functional with and without spin -orbit coupling
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First-principles Quantum Insights into Bandgap Engineering, Valley Quantum Hall Effect, and Nonlinear Optical Response of Ge-Doped Graphene for Potential Optoelectronic Applications
Germanium doping in graphene opens a bandgap and induces valley-contrasting Berry curvature and second harmonic generation, according to density functional theory calculations.