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Geometry change due to the Mn substitution in ZnO was examined with the plane-wave pseudopotential method using a 72-atom supercell, in which one Zn was replaced by Mn. Since resultant change in bond length is only +2%, geometry change is not considered in the present NEXAFS calculation.
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Geometry change due to the Mn substitution in ZnO was examined with the plane-wave pseudopotential method using a 72-atom supercell, in which one Zn was replaced by Mn. Since resultant change in bond length is only +2%, geometry change is not considered in the present NEXAFS calculation.
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