Abstract
The geometrical and electronic structures of Mn‐doped CaTiO3, CaZrO3, and CaSnO3 deep‐red emission phosphors are investigated both experimentally and theoretically. All the samples are synthesized with solid‐state reaction method by changing the concentration of the doped Mn ions. Crystal structures of the fabricated samples are examined with the powder X‐ray diffraction technique and valence states of the doped Mn ions are determined by measuring the Mn‐L3 X‐ray absorption near‐edge structure (XANES) spectra. Diffuse reflectance spectra are observed to study the change in electronic structures due to the Mn doping. First‐principles calculations are also carried out to investigate geometrical and electronic structures of Mn‐doped CaMO3, in which different types of electron–electron correlation functionals are employed.
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