First-principle calculations of phononic, electronic and optical properties of monolayer arsenene and antimonene allotropes

Recently a stable monolayer of antimony in buckled honeycomb structure called antimonene was successfully grown on 3D topological insulator Bi $_{2}$ Te $_{3}$ and Sb $_{2}$ Te $_{3}$ , which displays semiconducting properties. By first principle calculations, we systematically investigate the phononic, electronic and optical properties of $α -$ and $β -$ allotropes of monolayer arsenene/antimonene. We investigate the dynamical stabilities of these four materials by considering the phonon dispersions. The obtained electronic structures reveal the direct band gap of monolayer $α -$ As/Sb and indirect band gap of $β -$ As/Sb. Significant absorption is observed in $α -$ Sb, which can be used as a broad saturable absorber.

First-principle calculations of phononic, electronic and optical properties of monolayer arsenene and antimonene allotropes

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First-principle calculations of phononic, electronic and optical properties of monolayer arsenene and antimonene allotropes

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First-principle calculations of phononic, electronic and optical properties of monolayer arsenene and antimonene allotropes

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First-principle calculations of phononic, electronic and optical properties of monolayer arsenene and antimonene allotropes

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