High critical temperature (T c ) superconductor has a great potential in many industrial applications. However, discovering a compound having high T c is still remaining a big challenge for experimental approach due to time-consuming and high cost. In this paper, we investigated the critical temperature (T c ) of several compounds of ThCr 2 Si 2 -type structure (space group I4/mmm) since some of them had already been investigated and trusted as the potential candidates for superconductivity. First principle calculation was performed to compute the critical temperature (T c ) based on allen-dynes equation modification of McMillian formula. In order to confirm our calculation scheme, we compared our result with compounds which had been experimentally determined obtained from NI MS database. The result showed a very good agreement with experimental data. Based on this scheme, finally, we found ThCu 2 Si 2 and ThAu 2 Si 2 which were most likely to exhibit a superconductivity around 3.88 K and 4.27. Since, these compounds have not been studied experimentally, then we futher investigated their electronic properties showing non-negative phonons which indicate the dynamical stability of the compounds at ambient condition. Band structure and DOS analysis showed metallic nature where the highest contributor come from d-orbital of rare-earth element and p-orbital of Si emerging a mixture of covalent, ionic and metallic bonds exists in both the compounds. Finally, we calculated the electron phonon coupling coefficient showing a quite large different (27%) leading to the increment of T c , however, both of compounds possess three dimensional electron-like and hole-like multi-band fermi surface which is related to the phonon mediated which is still under electron-phonon mediated superconductivity. keywords : superconductivity, ThCr 2 Si 2 -type structure, ThCu 2 Si 2 , ThAu 2 Si 2 , critical temperature
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