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The theoretical studies on the electronic and lattice properties of theseries of non-centrosymmetric superconductors ThTSi, where T = Co, Ni, Ir, andPt are presented. The electronic band structure and crystal parameters wereoptimized within the density functional theory. The spin-orbit coupling leadsto the splitting of the electronic bands and Fermi surfaces, with the strongereffect observed for the compounds with the heavier atoms Ir and Pt. Thepossible mixing of the spin-singlet and spin-triplet pairing in thesuperconducting state is discussed. The phonon dispersion relations and phonondensity of states were obtained using the direct method. The dispersion curvesin ThCoSi and ThIrSi exhibit the low-energy modes along the S-N-S0 line withthe tendency for softening and dynamic instability. Additionally, we calculateand analyse the contributions of phonon modes to lattice heat capacity.

Electronic and lattice properties of non-centrosymmetric superconductors ThTSi (T = Co, Ir, Ni, and Pt)