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Discovery and design of two-dimensional (2D) materials with suitable bandgaps and high carrier mobility is of vital importance for photonics,optoelectronics, and high-speed electronics. In this work, based on firstprinciples calculations using density functional theory (DFT) with PBE and HSEfunctionals, we introduce a family of monolayer isostructural semiconductingtellurides M2N2Te8, with M = {Ti, Zr, Hf} and N= {Si, Ge}. These compounds havebeen identified to possess direct band gaps from 1.0 eV to 1.31 eV, which arewell suited for photonics and optoelectronics applications. Additionally,anisotropic in-plane transport behavior is observed and small electron and hole(0.11 - 0.15 me) effective masses are identified along the dominant transportdirection. Ultra-high carrier mobility is predicted for this family of 2Dcompounds which host great promise for potential applications in high-speedelectronic devices. Detailed analysis of electronic structures reveals theorigins of the promising properties of this unique class of 2D telluridematerials.

Monolayer 2D semiconducting tellurides for high-mobility electronics