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Effect of tetragonal distortion on the electronic structure, dynamicalproperties and superconductivity in Mo$_3$Sb$_7$ is analyzed using firstprinciples electronic structure and phonon calculations. Rigid muffin tinapproximation (RMTA) and McMillan formulas are used to calculate theelectron-phonon coupling constant $\lambda$ and superconducting criticaltemperature. Our results show, that tetragonal distortion has small, butbeneficial effect on superconductivity, slightly increasing $\lambda$, and theconclusion that the electron-phonon mechanism is responsible for thesuperconductivity in Mo$_3$Sb$_7$ is supported. The spin-polarized calculationsfor the ordered (ferromagnetic or antiferromagnetic), as well as disordered(disordered local moment) magnetic states yielded non-magnetic ground state. Wepoint out that due to its experimentally observed magnetic properties thetetragonal Mo$_3$Sb$_7$ might be treated as noncentrosymmetric superconductor,which could have influence for the pairing symmetry. In this context therelativistic band structure is calculated and spin-orbit interaction effectsare discussed.

Effect of the tetragonal distortion on the electronic structure, phonons and superconductivity in the Mo3Sb7 superconductor