Fig. 4: Charger-ordered phase description and electronic structure analysis. | Nature Communications

Fig. 4: Charger-ordered phase description and electronic structure analysis.

From: Observation of novel charge ordering and spin reorientation in perovskite oxide PbFeO3

Fig. 4

a Description of Pb2+/Pb4+-ordered optimized Cmcm structure. b Calculated energies of various Pb2+/Pb4+-ordered structures considering four collinear arrangements between Fe spins. Relative energy (\({\Delta}E\)) is shown with respect to undistorted ferromagnetic phase. c Calculated density of states of lowest energy charge-ordered Cmcm structure in G-type antiferromagnetic phase.

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