Theoretical methods for the study of transition metals in crystals
Abstract
The characterization of the electronic structure of impurities in solids impacts a large class of phenomena and devices. It is particularly important for the systematic development of new solid state laser media. The large number of ion-host combinations that must be studied in order to optimize the linear and non-linear optical properties and the thermal and mechanical properties of the laser precludes a case by case experimental investigation. This suggests that an aggressive theoretical effort to determine the optical properties of these materials will be useful in the search for new tunable solid state lasers. Unlike the Block states of a perfect crystal, the electronic states associated with impurities are localized on a very few atoms. Because their energy levels are usually well separated from those of the host crystal, the electronic spectroscopy of transition metal and rare earth ion impurities offers a wealth of information. The theoretical methods used to describe the properties of transition metals in crystals do not differ in principle from those used to treat atoms and molecules.
- Publication:
-
Presented at the Conf. on Tunable Solid State Lasers
- Pub Date:
- July 1984
- Bibcode:
- 1984tssl.conf...13W
- Keywords:
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- Atomic Structure;
- Crystals;
- Mechanical Properties;
- Transition Metals;
- Electron Spectroscopy;
- Impurities;
- Laser Materials;
- Optical Properties;
- Sodium Chlorides;
- Sodium Fluorides;
- Solid State Lasers;
- Solid-State Physics