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Silicon telluride (Si2Te3) is a two-dimensional material with a uniquevariable structure where the silicon atoms form Si-Si dimers to fill the"metal" sites between the Te layers. The Si-Si dimers have four possibleorientations: three in-plane and one out-of-the plane directions. Thestructural variability of Si2Te3 allows unusual properties especially themechanical properties. Using results from first-principles calculations, weshow that the Si2Te3 monolayer can sustain a uniaxial tensile strain up to 38%,highest among all two-dimensional materials reported. The high mechanicalflexibility allows applying mechanical strain to reduce the band gap by 1.4 eV.With increasing strain, the band gap undergoes an unusualindirect-direct-indirect-direct transition. We also show that the uniaxialstrain can effectively control the Si-Si dimer alignment, which is beneficialfor practical applications.

Ultra-High Mechanical Flexibility of 2D Silicon Telluride