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Antimonene has attracted much attention for its high carrier mobility andsuitable band gap for electronic, optoelectronic, and even spintronic devices.To tailor its properties for such applications, strain engineering may beadopted. However, such 2D crystals may prefer to exist in the rippled form dueto the instability of long-range orders, and rippling has been shown to have acontrasting, significant impact on the electronic properties of various 2Dmaterials, which complicates the tuning process. Hence, the effects of ripplingon the electronic properties of antimonene under strain are herein investigatedby comparing antimonene in its rippled and flat forms. DFT calculations areperformed to compute the structural and electronic parameters, where uniaxialcompression of up to 7.5% is applied along the armchair and zigzag directionsto study the anisotropic behavior of the material. Highly stable propertiessuch as the work function and band gap are obtained for the rippled structures,where they are fully relaxed, regardless of the compression level, and theseproperties do not deviate much from those of the pristine structure under nostrain. In contrast, various changes are observed in their flat counterparts.The mechanisms behind the different results are thoroughly explained byanalyses of the density of states and structure geometry. The out-of-planedipole moments of the rippled structures are also presented to give furtherinsights into potential applications of rippled antimonene in sensors,actuators, triboelectric nanogenerators, etc. This work presents extensive dataand thorough analysis on the effect of rippling on antimonene. Theidentification of optimal ripple amplitudes for which the electronic propertiesof the pristine condition can be recovered will be highly significant inguiding the rational design and architecture of antimonene-based devices.

Highly stable electronic properties of rippled antimonene under compressive deformation