Crystal Fields for Transition-Metal Ions in Laser Host Materials

ISBN-13: 9783642956881 / Angielski / Miękka / 2012 / 190 str.

Clyde A. Morrison

Opis

A researcher trying to predict or interpret spectra of transition metal ionsin possible laser host materials is confronted with a variety of different methods of describing the same physical situation. This book provides a systematic approach to the applied theory of crystal-field interactions of transition metal ions in 49 crystalline hosts that are or show promise of being good laser materials. The tables that make up the main part of the book present the experimentally determined parameters of the 3dN, 4dN, and 5dN transition-metal ions in the second, third, and fourth ionization states. These parameters have been converted to Slater and crystal-field parameters. The book is a source for research workers in laser development and in crystal-field theory, and for graduate students of solid state chemistry and physics.

Spis treści

1. Introduction.- 2. Theory and Data.- 2.1 Free-Ion Parameters.- 2.2 Crystal-Field Parameters.- 2.3 Relation of Dq with B40.- 2.4 Relation of Bnm to Other Notations.- 2.5 Presentation of Data.- 2.5.1 Crystallographic data.- 2.5.2 Crystal-field components, Anm, and parameters, Bnm.- 2.5.3 Experimental results.- 2.5.4 Bibliographies and reference lists.- 2.6 References.- 3. Y3Al5O12(YAG).- 3.1 Crystallographic Data on Y3Al5O12.- 3.2 Crystal Fields for 24(d) (S4) Site.- 3.2.1 Crystal-field components, Anm, for Al2 (S4) site.- 3.2.2 Approximate Slater parameters and crystal-field parameters for triply ionized transition-metal ions in S4 site in YAG.- 3.3 Crystal Fields for 16(a) (C3i) Site.- 3.3.1 Crystal-field components, Anm, for Al1 (C3i) site (rotated so that z-axis is parallel to (111) crystallographic axis).- 3.3.2 Slater parameters and theoretical crystal-field parameters, Bnmfor Al1 (C3i) site for triply ionized transition-metal ions with electronic configuration 3dN.- 3.4 Experimental Values of B40, F(2), and F(4) for ndN Ions.- 3.5 Bibliography and References.- 4. K2NaXF6 (X = Al, Ga, Sc).- 4.1 Crystallographic Data on Two Forms of K2NaAlF6.- 4.1.1 Cubic Th6(Pa3), 205, Z = 4, elpasoite.- 4.1.2 Cubic Oh5 (Fm3m), 225, Z = 4, elpasolite.- 4.1.3 X-ray data for Oh5 crystal structure.- 4.2 Crystal Fields for Pa3 Form.- 4.2.1 Crystal-field components, Anm, for Al (C3i) site (rotated so that z-axis is parallel to (111) crystallographic axis).- 4.2.2 Theoretical crystal-field parameters, Bnm, for monopole Anmfor Al (C3i) site for triply ionized transition-metal ions with electronic configuration 3dN.- 4.3 Crystal Fields for Fm3m Form.- 4.3.1 Crystal-field components, Anm, for Al (Oh) site.- 4.3.2 Experimental parameters for ions in Oh site in K2NaXF6.- 4.4 Bibliography and References.- 5. Cs2TiF6.- 5.1 Crystallographic Data on Two Forms of Cs2TiF6.- 5.1.1 Cubic Oh5 (Fm3m, 225, Z = 4.- 5.1.2 Hexagonal D3d3(P3m1, 164, Z = 1.- 5.2 Crystal Fields for Oh Site.- 5.2.1 Crystal-field components, Anm, for Ti (Oh) site of cubic form.- 5.2.2 Theoretical crystal-field parameters, Bnm, for Anm of Ti (Oh) site for quadruply ionized transition-metal ions with electronic configuration ndN.- 5.3 Crystal Fields for D3d Site.- 5.3.1 Crystal-field components, Anm, for Ti (D3d) site in hexagonal form.- 5.3.2 Theoretical crystal-field parameters, Bnm, for Anm of Ti (D3d) site for quadruply ionized transition-metal ions with electronic configuration ndN.- 5.3.3 Experimental values of parameters for D3d site of Cs2TiF6.- 5.4 Bibliography and References.- 6. NH4Al(SO4)2.- 6.1 Crystallographic Data on NH4Al(SO4)2.- 6.2 Crystal-Field Components, Anm, for Al (D3) Site.- 6.3 Experimental Parameters.- 6.4 Bibliography and References.- 7. MgF2.- 7.1 Crystallographic Data on MgF2.- 7.1.1 Tetragonal D4h14 (p42/mnm) 136, Z = 2.- 7.1.2 X-ray data on MgF2.- 7.2 Crystal-Field Components, Anm, for Mg (D2h) Site.- 7.2.1 X-ray data of Wyckoff (1968).- 7.2.2 X-ray data of Yuen et al (1974).- 7.2.3 X-ray data of Baur et al (1982).- 7.3 Experimental Parameters.- 7.4 Bibliography and References.- 8. MnF2.- 8.1 Crystallographic Data on MnF2.- 8.1.1 Tetragonal D4h14 (P42/mnm), 136, Z = 2.- 8.1.2 X-ray data on MnF2.- 8.2 Crystal Fields for Mn (D2h) Site.- 8.2.1 Crystal-field components, Anm, for Mn (D2h) site (Baur, 1958; Wyckoff, 1968).- 8.2.2 Crystal-field components, Anm, for Mn (D2h) site (Stout and Reed, 1954).- 8.3 Experimental Parameters.- 8.4 Bibliography and References.- 9. ZnF2.- 9.1 Crystallographic Data on ZnF2.- 9.2 Crystal Fields for Zn Site (D2h).- 9.2.1 X-ray data of Baur (1958), Wyckoff (1968).- 9.2.2 X-ray data of Stout and Reed (1954).- 9.3 Experimental Parameters.- 9.4 Bibliography and References.- 10. MgO.- 10.1 Crystallographic Data on MgO.- 10.2 Crystal Fields for Mg (Oh) Site.- 10.2.1 Crystal-field components, Anm, for Mg (Oh) site.- 10.2.2 Theoretical crystal-field parameters, Bnm, for Anm of Mg (Oh) site for transition-metal ions with electronic configuration ndN.- 10.3 Experimental Parameters.- 10.4 Bibliography and References.- 11. Be3Al2 (SiO3)6 (Beryl, Emerald).- 11.1 Crystallographic and X-Ray Data on Be3Al2(SiO3)6.- 11.2 Crystal Fields for Al (D3) Site.- 11.2.1 Crystal-field components, Anm, for Al (D3) site.- 11.2.2 Theoretical crystal-field parameters, Bnm for Anm of Al (D3) site for transition-metal ions with electronic configuration ndN.- 11.3 Experimental Parameters.- 11.4 Bibliography and References.- 12. Na3M2Li3F12 (Fluoride Garnets).- 12.1 Crystallographic Data on Na3M2Li3F12.- 12.2 X-Ray Data on Na3M2Li3F12.- 12.3 Crystal-Field Data.- 12.3.1 Crystal-field components, Anm, for M (C3i) site in Na3M2Li3F12 (rotated so that z-axis is along (111) crystallographic axis).- 12.3.2 Theoretical crystal-field parameters, Bnm, for Al (C3i) site of Na3Al2Li3F12 for transition-metal ions with electronic configuration 3dN.- 12.3.3 Theoretical crystal-field parameters, Bnm, for Sc (C3i) site of Na3Sc2Li3F12 for triply ionized transition-metal ions with electronic configuration 3dN.- 12.3.4 Theoretical crystal-field parameters, Bnm, for In (C3i) site of Na3In2Li3F12 for transition-metal ions with electronic configuration 3dN.- 12.4 Experimental Parameters for Cr3+ in Na3M2Li3F12.- 12.5 Bibliography and References.- 13. Cs2SnBr6.- 13.1 Crystallographic Data on Cs2SnBr6.- 13.2 Crystal-Field Components, Anm, for Sn (Oh) Site.- 13.3 Experimental Parameters.- 13.4 Bibliography and References.- 14. KMgF3.- 14.1 Crystallographic Data on KMgF3.- 14.2 Crystal-Field Components, Anm, for Mg (Oh) (1b) Site.- 14.3 Experimental Parameters.- 14.4 Bibliography and References.- 15. BeAl2O4 (Chrysoberyl, Cr:BeAl2O4 = Alexandrite).- 15.1 Crystallographic Data on BeAl2O4.- 15.2 X-Ray Data.- 15.3 Crystal-Field Components.- 15.4 Experimental Values of F(2), F(4), and B40 for ndNIons.- 15.5 Bibliography and References.- 16. ZnAl2O4.- 16.1 Crystallographic Data on ZnAl2O4.- 16.2 Crystal Fields for Zn (Td) Site.- 16.2.1 Crystal-field components, Anm, for Zn (Td) site.- 16.2.2 Crystal-field components, Anm for Al (D3d) site (rotated so that z-axis is parallel to (111) crystallographic axis).- 16.3 Experimental Values of F(2), F(4), ?, ?, and Bnm for ndN Ions.- 16.4 Bibliography and References.- 17. Li2MgZrO4.- 17.1 Crystallographic Data on Li2MgZrO4.- 17.2 Crystal-Field Components, Anm for 4(a) (D2d) Site.- 17.3 Bibliography and References.- 18. La3Lu2Ga3O12.- 18.1 Crystallographic Data on La3Lu2Ga3O12.- 18.2 Crystal-Field Components, Anm.- 18.2.1 For Ga ion in 24(d) (S4) site.- 18.2.2 For Lu ion in 16(a) (C3i) site (rotated so that z-axis is parallel to (111) crystallographic axis).- 18.2.3 For La ion in 24(c) (D2) site.- 18.3 Experimental Parameters.- 18.4 Bibliography and References.- 19. ZnO.- 19.1 Crystallographic Data on ZnO.- 19.2 X-RayData.- 19.3 Crystal-Field Components, Anm, for Zn (C3v) Site.- 19.4 Experimental Parameters.- 19.5 Bibliography and References.- 20. ZnS.- 20.1 Crystallographic Data on ZnS.- 20.1.1 Cubic Td2 (F43m), 216, Z = 4.- 20.1.2 Hexagonal C6v4 (P63mc), 186, Z = 2.- 20.1.3 X-ray data on hexagonal ZnS.- 20.2 Crystal Fields.- 20.2.1 Crystal-field components, Anm, for Zn (Td) site of cubic ZnS.- 20.2.2 Crystal-field components, Anm, for Zn (C3v) site of hexagonal ZnS.- 20.2.3 Crystal-field components, Anm, for Zn (C3v) site of hexagonal ZnS.- 20.3 Experimental Values of F(2), F(4), ?, and B40 for 3dN Ions.- 20.4 Bibliography and References.- 21. K2PtCl6.- 21.1 Crystallographic Data on K2PtCl6.- 21.1.1 Cubic O5h(Fm3m), 225, Z = 4.- 21.1.2 X-ray data on K2PtCl6.- 21.2 Crystal-Field Components, Anm, for Pt (Oh) Site.- 21.3 Experimental Parameters.- 21.4 Bibliography and References.- 22. Y3Ga5O12(YGG).- 22.1 Crystallographic Data on Y3Ga5O12.- 22.2 Crystal-Field Components, Anm.- 22.2.1 For Ga2 ion in 24(d) (S4) site.- 22.2.2 For Gaj ion in 16(a) (C3i) site (rotated so that z-axis is parallel to (111) crystallographic axis).- 22.3 Experimental Parameters.- 22.4 Bibliography and References.- 23. La2?xSrxCuO4.- 23.1 Crystallographic Data on La1 85Sr0 15CuO4.- 23.1.1 Tetragonal, D4h17 (I4/mmm), 139, Z = 2; T =300 K.- 23.1.2 Orthorhombic D2h18(Cmca), 64, Z = 4; T = 10 K and 60 K.- 23.2 X-Ray Data.- 23.2.1 Tetragonal, T= 300 T.- 23.2.2 Orthorhombic, T= 10 K and 60 K.- 23.3 Crystal-Field Components, Anm.- 23.3.1 For La (C4v) site in tetragonal La1.85Sr0.15CuO4.- 23.3.2 For La (Cs) site of orthorhombic La1 85Sr0.15CuO4 rotated so that z-axis of Anm is parallel to b-axis and A22 is real and positive.- 23.4 Bibliography and References.- 24. Al2O3 (Corundum).- 24.1 Crystallographic Data on Al2O3.- 24.2 X-Ray Data.- 24.3 Crystal-Field Components, Anm, for Al (C3) Site.- 24.4 Experimental Parameters for Transition-Metal Ions in Al2O3.- 24.5 Bibliography and References.- 25. MgAl2O4.- 25.1 Crystallographic Data on MgAl2O4.- 25.2 Crystal-Field Components, Anm.- 25.2.1 For Al (D3d) site (rotated so that z-axis is parallel to (111) crystallographic axis).- 25.2.2 For Mg (Td) site.- 25.3 Experimental Parameters for Transition-Metal Ions.- 25.4 Bibliography and References.- 26. A3B2Ge3O12 (Germanium Garnet).- 26.1 Crystallographic Data on A3B2Ge3O12.- 26.2 X-Ray Dataon A3B2Ge3O12.- 26.3 Crystal-Field Components, Anm.- 26.3.1 For Al ion in 16(a) (C3i) site in Ca3Al2Ge3O12.- 26.3.2 For Se ion in 16(a) (C3i) site in Ca3Sc2Ge3O12.- 26.3.3 For Lu ion in 16(a) (C3i) site in Ca3Lu2Ge3O12.- 26.3.4 For In ion in 16(a) (C3i) site in Ca3In2Ge3O12.- 26.3.5 For Sc ion in 16(a) (C3i) site in Sr3Sc2Ge3O12.- 26.3.6 For Se ion in 16(a) (C3i) site in Cd3Sc2Ge3O12.- 26.4 Experimental Values of B40, F(2), and F(4) for ndN Ions.- 26.5 Bibliography and References.- 27. ZnGa2O4.- 27.1 Crystallographic Data on ZnGa2O4.- 27.2 Crystal-Field Components, Anm.- 27.2.1 For Zn (Td) site.- 27.2.2 For Ga (D3d) site (rotated so that z-axis is parallel to (111) crystallographic axis).- 27.3 Bibliography and References.- 28. Cs2GeF6.- 28.1 Crystallographic Data on Cs2GeF6.- 28.2 Crystal-Field Components, Anm.- 28.2.1 For Ge (Oh) site.- 28.2.2 For Cs (Td) site.- 28.3 Experimental Parameters.- 28.4 Index of Refraction.- 28.5 Bibliography and References.- 29. R2Ti2O7(R? Y).- 29.1 Crystallographic Data on R2Ti2O7.- 29.2 X-Ray Data on R2Ti2O7 and Polarizabilities, ?R, of Rare-Earth Ions, R3+(4fN).- 29.3 Crystal-Field Components, Anm.- 29.3.1 A20 for Rsite 16c (D3d).- 29.3.2 A40 for Rsite 16c (D3d).- 29.3.3 A43 for Rsite 16c (D3d).- 29.3.4 A60 for Rsite 16c (D3d).- 29.3.5 A63 for Rsite 16c (D3d).- 29.3.6 A66 for Rsite 16c (D3d).- 29.3.7 A20 for Ti site 16d(D3d).- 29.3.8 A40 for Ti site 16d(D3d).- 29.3.9 A43 for Ti site 16d(D3d).- 29.3.10 A60 for Ti site 16d(D3d).- 29.3.11 A63 for Ti site 16d(D3d).- 29.3.12 A66 for Ti site 16d(D3d).- 29.3.13 A32 for vacancy site, X, 8b(Td).- 29.3.14 A40 for vacancy site, X, 8b(Td).- 29.3.15 A60 for vacancy site, X, 8b(Td).- 29.3.16 A72 for vacancy site, X, 8b(Td).- 29.4 Experimental Parameters.- 29.5 Bibliography and References.- 30. Y2Ti2O7.- 30.1 Crystallographic Data on Y2Ti2O7 for Two Choices of Ion Sites.- 30.1.1 Cubic Oh7 (Fd3m) 227 (second setting), Z = 8.- 30.1.2 Cubic Oh7(Fd3m), 227 (second setting), Z = 8.- 30.2 Crystal-Field Components, Anm.- 30.2.1 For Y ion in 16c (D3d) site of Knop et al (rotated so that z-axis is parallel to (111) crystallographic axis).- 30.2.2 For Ti ion in 16d (D3d) site of Knop et al (rotated so that z-axis is parallel to (111) crystallographic axis).- 30.2.3 For vacancy site, X, 8b (Td) of Knop et al.- 30.2.4 For Y ion in 16d (D3d) site of Becker (rotated so that z-axis is parallel to (111) crystallographic axis).- 30.2.5 For Ti ion 16c (D3d) site of Becker (rotated so that z-axis is parallel to (111) crystallographic axis).- 30.2.6 For vacancy site, X, 8a (Td) of Becker.- 30.3 Experimental Parameters.- 30.4 Bibliography and References.- 31. K2ReCl6.- 31.1 Crystallographic Data on K2ReCl6.- 31.1.1 Cubic Oh5 (Fm3m), 225, Z = 4.- 31.1.2 X-ray data of K2ReCl6.- 31.2 Crystal-Field Components, Anm, for Re (Oh) Site.- 31.3 Experimental Parameters.- 31.4 Bibliography and References.- 32. A2BF6(A = K, Rb, Cs; B = Ge, Zr).- 32.1 Crystallographic Data on A2BF6.- 32.2 X-Ray Data.- 32.3 Crystal-Field Components, Anm.- 32.3.1 For Ge (D3d) site of K2GeF6.- 32.3.2 For Ge (D3d) site of Rb2GeF6.- 32.3.3 For Zr (D3d) site of Cs2ZrF6.- 32.3.4 For Zr (D3d) site of Rb2ZrF6.- 32.4 Bibliography and References.- 33. Rb2SnCl6.- 33.1 Crystallographic Data on Rb2SnCl6.- 33.2 Crystal-Field Components, Anm, for Sn (Oh) Site.- 33.3 Experimental Parameters.- 33.4 Bibliography and References.- 34.Cs2TeCl6.- 34.1 Crystallographic Data on Cs2TeCl6.- 34.1.1 Cubic Oh5 (Fm3m), 225, Z = 4.- 34.1.2 X-ray data on similar compounds reported by Abriel(1987).- 34.2 Crystal-Field Components, Anm.- 34.2.1 For Te (Oh) site.- 34.2.2 For 4(a) (Oh) site in compounds reported by Abriel (1987).- 34.3 Bibliography and References.- 35. K2ReF6.- 35.1 Crystallographic Data on K2ReF6.- 35.2 Crystal-Field Components, Anm, for Re (D3d) Site.- 35.3 Experimental Parameters.- 35.4 Bibliography and References.- 36.Cs2ZrCl6.- 36.1 Crystallographic Data on Cs2ZrCl6.- 36.2 Crystal-Field Components, Anm, for Zr (Oh) Site.- 36.3 Experimental Parameters.- 36.4 Bibliography and References.- 37.GaAs.- 37.1 Crystallographic Data on GaAs.- 37.2 Crystal-Field Components, Anm, for X (Td) Site.- 37.3 Crystal Fields for Ga Site.- 37.3.1 Crystal-field components, Anm, for Ga (Td) site.- 37.3.2 Crystal-field parameters, Bnm, for triply ionized transition-metal ions.- 37.4 Bibliography and References.- 38.ZrSiO4.- 38.1 Crystallographic Data on ZrSiO4.- 38.1.1 Tetragonal D4h19 (41/amd), 141 (second setting).- 38.1.2 X-ray data on ZrSiO4.- 38.2 Crystal Fields for Zr (D2d) Site.- 38.2.1 Crystal-field components, Anm, for Zr (D2d) site (data of Wyckoff, 1968).- 38.2.2 Crystal-field components, Anm, for Zr (D2d) site (data of Robinson et al, 1971).- 38.2.3 Theoretical crystal-field parameters, Bnm, for quadruply ionized 4d transition metals.- 38.2.4 Theoretical crystal-field parameters, Bnm, for quadruply ionized 5d transition metals.- 38.3 Bibliography and References.- 39. HfGeO4.- 39.1 Crystallographic Data on HfGeO4.- 39.2 X-Ray Data on HfGeO4.- 39.3 Crystal-Field Components, Anm, for Hf(S4) Site of HfGeO4.- 39.4 Bibliography and References.- 40. Li2XTeO6 (X = Zr, Hf).- 40.1 Crystallographic Data on Li2XTeO6 (X = Zr, Hf).- 40.2 X-Ray Data.- 40.3 Crystal-Field Components, Anm, for Zr Site (C3) of Li2ZrTeO6.- 40.4 Crystal-Field Components, Anm, for Hf Site (C3) of Li2HfTeO6.- 40.5 Bibliography and References.- 41. Li6BeZrF12.- 41.1 Crystallographic Data on Li6BeZrF12.- 41.2 Crystal-Field Components, Anm, for Zr (D2d) Site.- 41.3 Bibliography and References.- 42. ZrGeO4.- 42.1 Crystallographic Data on ZrGeO4.- 42.2 Crystal-Field Components, Anm, for Zr (S4) Site.- 42.3 Crystal-Field Components, Anm, for Ge (S4) Site.- 42.4 Bibliography and References.- 43. Zr3GeO8.- 43.1 Crystallographic Data on Zr3GeO8.- 43.2 Crystal-Field Components, Anm for Ge (D2d) Site of Zr3GeO8.- 43.3 Crystal-Field Components, Anm, for Zr1 (D2d) Site of Zr3GeO8.- 43.4 Crystal-Field Components, Anm, for Zr2 (S4) Site of Zr3GeO8.- 43.5 Bibliography and References.- 44. ThSiO4.- 44.1 Crystallographic Data on ThSiO4.- 44.2 Crystal-Field Components, Anm, for Th Site (D2d) of ThSiO4.- 44.3 Crystal-Field Components, Anm, for Si Site (D2d) ofThSiO4.- 44.4 Bibliography and References.- 45. ThGeO4.- 45.1 Crystallographic Data on ThGeO4.- 45.1.1 Tetragonal D4h19 (I41/amd) 141 (first setting), Z = 4.- 45.1.2 Tetragonal C4h6(I41/a), 88 (first setting), Z = 4.- 45.2 Crystal-Field Components, Anm, for Th Site (D2d) of ThGeO4.- 45.3 Crystal-Field Components, Anm, for Ge Site (D2d) of ThGeO4.- 45.4 Crystal-Field Components, Anm for Th Site (S4) of ThGeO4.- 45.5 Crystal-Field Components, Anm, for Ge Site (S4) of ThGeO4.- 45.6 Bibliography and References.- 46. Na2TiSiO5.- 46.1 Crystallographic Data on Na2TiSiO5.- 46.2 Crystal-Field Components, Anm, for Si (D2d) Site in Na2TiSiO5.- 46.3 Crystal-Field Components, Anm, for Ti (C4v) Site in Na2TiSiO5.- 46.4 Bibliography and References.- 47. Y2SiBe2O7.- 47.1 Crystallographic Data on Y2SiBe2O7.- 47.2 Crystal-Field Components, Anm, for Si Site (S4) in Y2SiBe2O7.- 47.3 Bibliography and References.- 48. Bi4X3O12 (X = Si, Ge).- 48.1 Crystallographic Data on Bi4X3O12.- 48.2 X-Ray Dataon Bi4X3O12.- 48.3 Crystal-Field Components, Anm, for Si Site (S4) of Bi4Si3O12.- 48.4 Crystal-Field Components, Anm, for Ge Site (S4) of Bi4Ge3O12.- 48.5 Bibliography and References.- 49. Bi12XO20 (X = Ge, Si, Ti).- 49.1 Crystallographic Data on Bi12XO20.- 49.2 X-Ray Data on Bi12XO20.- 49.3 Crystal-Field Components, Anm, for Ge (T) Site of Bi12GeO20.- 49.4 Crystal-Field Components, Anm, for Si (T) Site of Bi12SiO20.- 49.5 Crystal-Field Components, Anm, for Ti (T) Site of Bi12GeO20.- 49.6 Bibliography and References.- Acknowledgements.