Metal-insulator transition in MnS

In this article, we have studied phase transitions in the cubic (alpha-MnS) and hexagonal (gamma-MnS) structures of MnS under pressure in the framework of theoretical calculations, accounting for electron correlations in the manganese ions. The value of the band gap is found to be about 2 eV for the chosen approach. We theoretically demonstrate that the insulator-metal phase transition may occur in both cubic and hexagonal structures of MnS under uniform compression. The magnetic moments of manganese were also calculated depending on the value of the Coulomb interaction parameter and lattice volume. The value of the magnetic moments reaches 4.41-4.59 mu B for the certain conditions. Finally, the spin transition of the manganese ions from the high-spin to the low-spin state under high pressure was found.