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Using first principle calculations, we study the structural, optical andelectronic properties of two-dimensional silicene-like structures of CSi7(carbosilicene) and GeSi7 (germasilicene) monolayers. We show that both CSi7and GeSi7 monolayers have different buckling that promises a new way to controlthe buckling in silicene-like structures. Carbon impurity decreases thesilicene buckling, whereas germanium impurity increases it. The CSi7 hassemiconducting properties with 0.25 eV indirect band gap, but GeSi7 is asemimetal. Also, under uniaxial tensile strain, the semiconducting propertiesof CSi7 convert to metallic properties which shows that CSi7 can be used instraintronic devices such as strain sensor and strain switch. There is noimportant response for GeSi7 under strain. The GeSi7 has higher dielectricconstant relative to CSi7, silicene and graphene and it can be used as a2D-material in high performance capacitors. Calculation of cohesive andformation energies show that CSi7 is more stable than GeSi7. Furthermore, weinvestigate the optical properties of these new materials and we show that CSi7and GeSi7 can significantly increase the light absorption of silicene. Theobtained results can pave a new route for tuning the electronic and opticalproperties of silicene like structures for different applications innanoelectronic devices.

Carbosilicene and germasilicene: Two 2D materials with excellent structural, electronic and optical properties