Investigation of the Influence of Pressure on the Physical Properties and Superconducting Transition Temperature of Chiral Noncentrosymmetric TaRh₂B₂ and NbRh₂B₂

TaRh2B2 and NbRh2B2 compounds exhibit noncentrosymmetric superconductivity witha chiralstructure. Density functional theory-based ab-initio calculationshave been executed to analyze the structural properties, mechanicalstability, ductility/brittleness behaviors, Debye temperature, meltingtemperature, optical response to incident photon energy, electroniccharacteristics, and superconducting transition temperature of chiralTaRh(2)B(2) and NbRh2B2 compoundsunder pressure up to 16 GPa. Both the chiral phases are mechanicallystable and exhibit ductile nature under the studied pressure. Themaximum value of the Pugh ratio (an indicator of ductile/brittle behaviors)is observed to be 2.55 (for NbRh2B2) and 2.52(for TaRh2B2) at 16 GPa. The lowest value ofthe Pugh ratio is noticed at 0 GPa for both these chiral compounds.The analysis of reflectivity spectra suggests that both the chiralcompounds can be used as efficient reflecting materials in the visibleenergy region. At 0 GPa, the calculated densities of states (DOSs)at the Fermi level are found to be 1.59 and 2.13 states eV(-1) per formula unit for TaRh2B2 and NbRh2B2, respectively. The DOS values of both the chiralphases do not alter significantly with applied pressure. The shapeof the DOS curve of both compounds remains almost invariant with appliedpressure. The pressure-induced variation of Debye temperatures ofboth compounds is observed, which may cause the alternation of thesuperconducting transition temperature, T (c), with applied pressure. The probable changing of T (c) with pressure has been analyzed from the McMillan equation.