Prediction of the superconductivity in two-dimensional TaS2 crystal by computer simulation method

Currently, there is interest in the study of superconductivity for materials in a two-dimensional state. The most important for explaining and predicting these properties is to obtain a band structure of the material of acceptable quality. In the work with the use of calculations using a software package based on a plane-wave basis, a zone diagram of a two-dimensional crystal based on TaS2 was obtained. The information obtained allowed to explain the superconducting properties of monolayer TaS2, namely, the presence of " hole pockets" and saddle points below the Fermi level, causing the appearance of van Hove singularities was confirmed.