Phase stability of $\alpha$-, $\gamma$-, and $\varepsilon$-Ce: DFT+DMFT study

We present the total energy calculation of $\alpha$-, $\gamma$-, $\varepsilon$-Ce phases in the frame of GGA, GGA+U, and DFT+DMFT methods. It was shown that taken into account of Coulomb correlations in the frame of dynamical mean-field theory allows to reproduce the phase diagram of Ce in correct way. Equilibrium volume calculated within the DFT+DMFT method for face-centered cubic ($fcc$) structure agrees with experimental Ce-$\gamma$ cell volume. With temperature decrease energy minimum shifts toward $\alpha$ cell volume. Moreover, the DFT+DMFT total energy for body-centered tetragonal ($bct$) structure becomes smaller than for $fcc$ one with increase of pressure in agreement with experimental phase diagram. Importance of accounting of Coulomb correlation in the frame of DMFT is discussed.