Fig. 5: Band gap and magnetic moment values from various DFAs. | npj Computational Materials

Fig. 5: Band gap and magnetic moment values from various DFAs.

From: Sensitivity of the electronic and magnetic structures of cuprate superconductors to density functional approximations

Fig. 5

Theoretical predicted values of a electronic bandgap and b copper magnetic moment for all three phases of pristine LCO obtained within various density functional approximations. The gray shaded region in a gives the spread in the reported experimental values for the leading edge gap63,64,65. In b, the blue shaded region represents the experimental value of magnetic moment7. The LSDA and PBE values are taken from ref. 22.

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