Crystal Fields for Transition-Metal Ions in Laser Host Materials

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.