Fig. 5: The evolution of total energy and OP amplitude.
From: A first-principle perspective on electronic nematicity in FeSe
a–c The total energy of the β (blue triangles) and γ (red stars) solutions; and d–f the OP amplitude \({\Delta }_{{E}_{{\rm{u}}}}\) (red stars) and \({\Delta }_{{B}_{1{\rm{g}}}}\) (blue triangles) of the ground state (γ solution) as a function of the the +U parameter (U), Fe–Fe distance (\(a/\sqrt{2}\)) and the out-of-plane coordinate of Se (zSe).
