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We present a computational scheme for total energy calculations of disorderedalloys with strong electronic correlations. It employs the coherent potentialapproximation combined with the dynamical mean-field theory and allows one tostudy the structural transformations. The material-specific Hamiltonians in theWannier function basis are obtained by density functional theory. The proposedcomputational scheme is applied to study the ${\gamma\textrm{-}\varepsilon}$structural transition in paramagnetic Fe-Mn alloys for Mn content from 10 to 20at. %. The electronic correlations are found to play a crucial role in thistransition. The calculated transition temperature decreases with increasing Mncontent and is in a good agreement with experiment. We demonstrate that incontrast to the ${\alpha\textrm{-}\gamma}$ transition in pure iron, the${\gamma\textrm{-}\varepsilon}$ transition in Fe-Mn alloys is driven by acombination of kinetic and Coulomb energies. The latter is found to beresponsible for the decrease of the ${\gamma\textrm{-}\varepsilon}$ transitiontemperature with Mn content.

Structural ${\gamma\textrm{-}\varepsilon}$ phase transition in Fe-Mn alloys from CPA+DMFT approach