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We present a study of mechanical, electronic and magnetic properties of twodimensional (2D), monolayer of silicon carbide (SiC) in honeycomb structure andits quasi 1D armchair nanoribbons using first-principles plane wave method. Inorder to reveal dimensionality effects, a brief study of 3D bulk and 1D atomicchain of SiC are also included. Calculated bond-lengths, cohesive energies,charge transfers and band gaps display a clear dimensionality effect. Thestability analysis based on the calculation of phonon frequencies indicatesthat 2D SiC monolayer is stable in planar geometry. We found that 2D SiCmonolayer in honeycomb structure and its bare and hydrogen passivatednanoribbons are ionic, non-magnetic, wide band gap semiconductors. The band gapis further increased upon self-energy corrections. The mechanical propertiesare investigated using the strain energy calculations. The effect of variousvacancy defects, adatoms and substitutional impurities on electronic andmagnetic properties in 2D SiC monolayer and in its armchair nanoribbons arealso investigated. Some of these vacancy defects and impurities, which arefound to influence physical properties and attain magnetic moments, can be usedto functionalize SiC honeycomb structures.

A First-Principles Study of Defects and Adatoms in Silicon Carbide Honeycomb Structures