Abstract
In this paper, a brief retrospective review of the main developments in crystal field theory is provided. We have examined how different crystal field models are applied to solve the problems that arise in the spectroscopy of optically active ions. Attention is focused on the joint application of crystal field and density functional theory (DFT) based models, which takes advantages of strong features of both individual approaches and allows for obtaining a complementary picture of the electronic properties of a doped crystal with impurity energy levels superimposed onto the host band structure.
| Original language | English |
|---|---|
| Pages (from-to) | 129-136 |
| Number of pages | 8 |
| Journal | Optical Materials |
| Volume | 79 |
| DOIs | |
| Publication status | Published - May 2018 |
| Externally published | Yes |
Keywords
- Crystal field theory
- Electronic structure
- Optical properties
- Rare earth ions
- Transition metal ions
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