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NaSn2P2 is a recently discovered superconducting system belonging to aparticular class of materials with van der Waals structure. There is enormousinterest in such compounds because of their intriguing electrical, optical,chemical, thermal, and superconducting state properties. We have studied thepressure dependent structural, thermo-physical, electronic band structure, andsuperconducting state properties of this quasi-two dimensional system indetails for the first time via ab initio technique. The optical The opticalproperties are also investigated for different electric field polarizations forthe first time. The elastic anisotropy indices point towards high level ofmechanical and bonding anisotropy in NaSn2P2 consistent with its highly layeredstructure. The pressure dependent superconducting transition temperature, Tc,of NaSn2P2 is predicted to vary strongly with the pressure dependent variationof Debye temperature. The electronic energy dispersion curves reveal high levelof direction dependence; the effective mass of charge carries are particularlyhigh for the out-of-plane charge transport. The optical parameters complimentthe underlying electronic energy density of states features and are weaklydependent on the polarization of the incident electric field. The reflectivityof NaSn2P2 is very high in the visible region and remains quite high andnon-selective over an extended energy range in the ultraviolet region. Theabsorption coefficient is also high in the mid-ultraviolet band. All theseoptical features render NaSn2P2 suitable for optoelectronic deviceapplications.

Pressure dependence of structural, elastic, electronic, thermodynamic,  and optical properties of van der Waals-type NaSn2P2 pnictide superconductor:  insights from DFT study