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By FP-LAPW calculations, the structural, elastic, Debye and Curie temperatures, electronic and magnetic properties of Co2 VAl are investigated. The results indicate that Ferromagnetic (FM) phase is more stable than Anti-Ferromagnetic (AFM) and Non-magnetic (NM) ones. In addition, C11-C12 > 0, C44 > 0, and B > 0 so Co2VAl is an elastically stable material with high Debye temperature. Also, the B/G ratio exhibits a ductility behavior. The relatively high Curie temperature provides it as a favorable material for spintronic application. It's electronic and magnetic properties are studied by GGA+U approach leading to a 100% spin polarization at Fermi level.

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Based on density functional theory (DFT), some optical properties of InN nanosheet, such as dielectric function, energy loss function, refractive index, reflectivity and absorption coefficient, have been calculated using the modified Becke–Johnson (mBJ) exchange–correlation potential and full potential-linearized augmented plane waves (FP-LAPW) method. The study of dielectric function show that optical properties of InN nanosheet are anisotropic and important energy range in the optical process is between low energies to 20 eV. The results indicate the plasmon energy of InN nanosheet occurs in the lower energy than bulk InN and in addition the plasmon energy in the in-plane direction is different from that perpendicular to the in-plane direction. The obtained optical gaps are 1.2 eV and 3.6 eV in perpendicular and parallel to [Formula: see text]-axis, respectively. Study of refractive index and optical reflectivity shows that the superluminal phenomena occur in the several energy ranges for the InN nanosheet and this nanosheet has high transparency in a wide energy range. The results propose that the InN nanosheet is a good candidate for the optical communications applications, optoelectronics devices and transparent coatings.

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