Figure 2 | Scientific Reports

Figure 2

From: Existence of La-site antisite defects in \(\hbox{LaMO}_3\) (\(\hbox{M} = \hbox{Mn}\), Fe, and Co) predicted with many-body diffusion quantum Monte Carlo

Figure 2

(Color Online) Relative energies obtained with FNDMC (blue) and LDA+U (orange) calculations of \(\hbox{LaMnO}_3\) with (a) antisite defect and (b) oxygen vacancy as a function of the total magnetization. The lowest data point is set to zero. LDA+U reproduces the defect magnetization (i.e., energy minima) of FNDMC.

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