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The structural parameters with stability upon Si incorporation and elastic,electronic, thermodynamic and optical properties of Ti3Al1-xSixC2 (0 \leq x\leq 1) are investigated systematically by the plane wave psedudopotentialmethod based on the density functional theory (DFT). The increase of someelastic parameters with increasing Si-content renders the alloys to possesshigher compressive and tensile strength. The Vickers hardness value obtainedwith the help of Mulliken population analysis increases as x is increased from0 to 1. The solid solutions considered are all metallic with valence andconduction bands, which have a mainly Ti 3d character, crossing the Fermilevel. The temperature and pressure dependences of bulk modulus, normalizedvolume, specific heats, thermal expansion coefficient, and Debye temperatureare all obtained through the quasi-harmonic Debye model with phononic effectsfor T = 0-1000K and P = 0-50GPa. The obtained results are compared with otherresults where available. Further an analysis of optical functions for twopolarization vectors reveals that the reflectivity is high in thevisible-ultraviolet region up to ~ 10.5 eV region showing promise as goodcoating material.  Keywords: Ti3Al1-xSixC2; First-principles; Quasi-harmonic Debye model;Mechanical properties; Band structure; Optical properties

Phase stability, elastic, electronic, thermal and optical properties of Ti3Al1-xSixC2 (0 LE x LE 1): First-principles study