We have analyzed different factors responsible for changes in the Dirac gap in MnBi ₂Te ₄ and the routes that determine the possibilities of the purposeful gap modulation. It was shown that upon changing the surface van der Waals interval and surface spin–orbit coupling strength the topological surface states localization shifts between the surface septuple layers with opposite magnetizations, which leads to a nonmonotonic change in the Dirac gap size. The minimum in the Dirac gap corresponds to the point of changing the sign of the emerging exchange field. Moreover, we have shown that the Dirac gap can be effectively modulated by replacing magnetic Mn atoms in the surface layer with nonmagnetic ones or Bi and Te atoms with atoms of elements with a lower spin–orbit coupling that makes it possible to create synthetic layered topological systems with purposeful modification of the surface properties.