Effect of Mn doping on the electronic structure of ZnGa2O4 with Spinel-type structure

Moriyasu Nonaka, Takumi Tanizaki, Shigenori Matsushima, Masataka Mizuno, Chao Nan Xu

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Abstract

The electronic structures of ZnGa2O4 and ZnGa2O4:Mn are calculated by the discrete variational Xα method on model clusters. For ZnGa2O4, it is found that Zn-O and Ga-O bondings are not perfectly ionic but partially covalent. When a central Zn atom of the cluster is replaced with a Mn atom, the new energy states originating from Mn 3d orbitals appear in the energy gap. The energy levels of t2 up-spin states and e down-spin states seem to relate to the green emission.

Original languageEnglish
Pages (from-to)664-665
Number of pages2
JournalChemistry Letters
Issue number7
DOIs
Publication statusPublished - Jan 1 2001

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All Science Journal Classification (ASJC) codes

  • Chemistry(all)

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