Abstract
Abstract Here, we have studied the electronic transport and optical properties of recently predicted SiSe2 homo-bilayer considering two stacking sequences. To confirm its dynamical stability, phonon spectrum is studied and shows that both AA- and AB-stackings are thermodynamically stable. Both the stackings show indirect characteristics with a band gap of 1.12 eV and 0.99 eV calculated with HSE06 hybrid functional. Higher electron carrier mobilities of the order of 103 cm2V−1sec−1 are obtained along x- and y-direction for both the stackings indicating n-type electronic characteristics. Higher values of electronic mobilities mainly arise out of lower deformation potentials. On application of biaxial compressive strains of about −5%, the bilayer encounters a transition and becomes metal. Furthermore, the absorption spectrum indicates a wide area covered. Small absorption can be observed in the near IR, visible and UV-region indicating its usefulness in the nano-optoelectronic device applications. Our results show that strain plays an important role due to lattice mismatching and can be used in future nano-optoelectronic devices.
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