Temperature-Dependent Generalized Planar Fault Energy and Twinnability of Mg Microalloyed with Er, Ho, Dy, Tb, and Gd: First-Principles Study

Table 1

The total energy (eV) of Mg-RE (RE = Er, Ho, Dy, Tb, and Gd) alloys replacing one atom of Mg in the 4th, 5th, 6th, 7th, 8th, 9th, and 10th layers by a rare earth atom, respectively (see Figure 3(a)).

Layer	4	5	6	7	8	9	10
Mg + Er	−169.770	−169.839	−169.848	−169.849	−169.838	−169.770	−169.720
Mg + Ho	−169.790	−169.862	−161.871	−169.873	169.861	−169.790	−169.736
Mg + Dy	−169.817	−169.891	−169.900	−169.910	−169.891	−169.816	−169.759
Mg + Tb	−169.845	−169.922	−169.931	−169.938	−169.922	−169.844	−169.784
Mg + Gd	−169.865	−169.945	−169.954	−169.956	−169.945	−169.865	−169.801