Prediction on the multiplet energy diagram of α-Al 2 O 3 : Mn 4+ under pressure
Abstract To review the recommendations for the production of novel red phosphor materials, in this work we established the multiplet energy diagram of Mn 4+ in a-Al 2 O 3 under pressure. By the discrete variational multi-electron (DVME), the calculations were conducted based on many-electron approac...
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| Published in | Journal of physics. Conference series Vol. 1869; no. 1; p. 12107 |
|---|---|
| Main Authors | , , , , |
| Format | Journal Article |
| Language | English |
| Published |
01.04.2021
|
| Online Access | Get full text |
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| Summary: | Abstract
To review the recommendations for the production of novel red phosphor materials, in this work we established the multiplet energy diagram of Mn
4+
in a-Al
2
O
3
under pressure. By the discrete variational multi-electron (DVME), the calculations were conducted based on many-electron approaches. Since the experimental data of Mn
4+
in a-Al
2
O
3
at zero pressure was the only data reported so far, the results in this work are our predictions. The effect of increasing pressure is naturally similar with the effect of decreasing bond length. This work indicates that the multiplet energies responsible for the absorption process increase as the pressure increase. Whereas, those responsible for the emission process decrease. These tendencies are the same as our previous calculations on a-Al
2
O
3
: Cr
3
+. |
|---|---|
| ISSN: | 1742-6588 1742-6596 |
| DOI: | 10.1088/1742-6596/1869/1/012107 |