Comparison of Optical Response from DFT Random Phase Approximation and Low-Energy Effective Model: Strained Phosphorene
Mohammad Alidoust,
Erlend E. Isachsen,
Klaus Halterman
et al.
Abstract:The engineering of the optical response of materials is a paradigm that demands microscopic-level accuracy and reliable predictive theoretical tools. Here we compare and contrast the dispersive permittivity tensor, using both a low-energy effective model and density functional theory (DFT). As a representative material, phosphorene subject to strain is considered. Employing a low-energy model Hamiltonian with a Green's function current-current correlation function, we compute the dynamical optical conductivity… Show more
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