The book is devoted to the analysis of spectral, vibronic and magnetic properties of 3d ions in a wide range of crystals, used as active media for solid state lasers and potential candidates for this role. crystal field calculations (including first-principles calculations of energy levels and absorption spectra) and comparison of these results with experimental spectra, janh-teller effect, analysis of vibronic spectra, materials science applications are systematically dealt with. the chapters are relatively independent and can be read separately.

The book is devoted to the analysis of spectral, vibronic and magnetic properties of 3d ions in a wide range of crystals, used as active media for solid state lasers and potential candidates for this role. crystal field calculations (including first-principles calculations of energy levels and absorption spectra) and comparison of these results with experimental spectra, janh-teller effect, analysis of vibronic spectra, materials science applications are systematically dealt with. the chapters are relatively independent and can be read separately.

The book can be useful for researchers working in the areas of crystal spectroscopy,materials science and its optical applications, post-graduate and under graduate students.

1 recent development in laser crystals with 3d ions

1.1 introduction

1.2 general properties and aspects of tunable solid-state lasers

1.2.1 the prep rational aspect

1.2.2 the spectroscopic aspect

1.2.3 the laser aspect

1.2.4 comparison between lasers based on the 3d-3d and 4f-4f transitions

1.3 transition metal ion lasers--recent developments

1.3.1 overview of progress in transition metal ion lasers

1.3.2 recent progress in the transition metal ion lasers

1.4 summary

references

2 exchange charge model of crystal field for 3d ions

2.1 introduction

2.2 ions with 3d1-configuration (ti3+, v4+, cr5+, mn6+)

2.2.1 ti3+

2.2.2 v4+

2.2.3 cr5+

2.2.4 mn6+

.2.3 ions with 3d2-configuration (v3+, cr4+, mn5+)

2.3.1 v3+

2.3.2 cr4+

2.3.3 mn5+

2.4 ions with 3d3-configuration (v2+, cr3+, mn4+, fe5+)

2.4.1 v2+

2.4.2 cr3+

2.4.3 mn4+

2.4.4 isoelectronic cr3+, mn4+ and fe5+ doped in srtio3

2.5 ions with 3d4-configuration (v+, cfi+, mn3+, fe )

2.6 ions with 3ds-configuration (mn2+, fe3+)

2.7 ions with 3d6-configuration (co3+, fe2+)

2.8 ions with 3dt-configuration (co2+, ni3+)

2.9 ions with 3ds-configuration (ni2+, cu3+)

2.10 ions with 3d9-configuration (cu2+)

2.11 conclusions

references

3 snperposition model and its applications

3.1 background

3.2 underlying assumptions and formulation of the superposition model

3.2.1 superposition model assumptions

3.2.2 superposition model formula

3.2.3 distance dependence in superposition model

3.2.4 linkage with the angular overlap model (aom)

3.2.5 quadratic rotational invariants and the superposition model

3.2.6 superposition model in zero-field splittings

3.3 applications of superposition model in selected systems

3.3.1 different ways of using the superposition model

3.3.2 low-lying states of cr3+ at c3 sites in linbo3

3.3.3 spin-hamiltonian parameters for 3d5 ions in oxide crystals

3.3.4 cr3+ at non-cubic sites in mgo

3.3.5 orbit-lattice coupling for cr3+ in ruby

3.4 conclusions

references

4 spin-hamiltonian parameters and lattice distortions around 3dn impurities

4.1 introduction

4.2 calculation methods of spin-hamiltonian parameters

4.2.1 perturbation theory method (ptm)

4.2.2 complete diagonalization of energy matrix method (cdm)

4.3 impurity-ligand distances for 3dn impurities in cubic sites of crystals

4.4 low-symmetry distortions of the 3dn impurity centers in crystals

4.5 defect properties related to the defect structures of 3dn impurity centers in crystals

4.5.1 local compressibility and local thermal expansion coefficient

4.5.2 defect model of 3dn impurity center

4.5.3 local phase transition behavior for the 3dn impurity centers in abx3-type perovskites

4.5.4 determination of the substitutional sites for 3dn impurities in crystals

references

5 dynamic jahn-teller effect in crystals doped with 3d ions

5.1 introduction

5.2 a brief survey

5.2.1 3dl, ti3+ and v4+

5.2.2 3d2, cr4+ and v3+

5.2.3 3d3, v2+ and cr3+

5.2.4 3d4, v+, cr2+ and mn3+

5.2.5 3d5, fe3+ and mn2+

5.2.6 3d6, fe2+

5.2.7 3d7, co2+

5.2.8 3d8,ni2+

5.2.9 3d9, ni+ and cu2+

5.3 the hamiltonian

5.3.1 the free ion

5.3.2 the crystalline field

5.3.3 the jt interaction

5.3.4 aworked example

5.3.5 real life approximations

5.4 calculation procedures

5.4.1 the lanczos method

5.4.2 lanczos instabilities

5.4.3 the glauber states approach

5.5 some illustrative examples (fe2+, v2+, cr2+)

5.5.1 fe2+ in ii -vi and m-v semiconductors

5.5.2 v2+

5.5.3 cr2+ in zns and znse

5.6 conclusions

acknowledgements

a the symmetric displacements of a tetrahedron

references

6 first-principles calculations of crystal field effects and absorption spectra for 3d ions in laser crystals

6.1 introduction

6.2 basic foundations of the dvme metho.d

6.3 applications of the dvme method

6.3.1 microscopic analysis of the crystal field effects and "ligand-impurity ion"

charge transfer transitions in cs2nayx6 (x=f, c1, br) crystals doped with cr

6.3.2 calculations of optical spectra for 3d ions in crystals

6.3.3 calculations of the xanes spectra

6.4 conclusion

acknowledgements

references

7 cobalt complexes in znse crystals as new absorbers for non-linear optical devices

7.1 introduction

7.2 crystal growth

7.3 optical investigations

7.4 molecular dynamics geometry optimization

7.4.1 methods of molecular dynamics simulation

7.4.2 results of calculations

7.5 photo-induced simulation of nonlinear absorption kinetics constants

7.6 conclusion

references