Abstract
Single-atomic boron-silicon (B-Si) layers show promise for applications in the field of two dimensional (2D) electronic devices. Using density functional theory, we have estimated the charge density properties along the various directions in 2D B-Si compounds. We have found that the Young's modulus for B-doped silicene increases in two mutually perpendicular “armchair” and “zigzag” deformation directions. We show that the increase in Young's modulus occurs due to the electron density increase on the B-Si bond.
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