Collected works of Theo Thole: The spectroscopy papers

Journal of Electron Spectroscopy and Related Phenomena

Volumn 86, Issue 1-3, 1997, Pages 25-40

  De Groot, Frank ^a   Van Der Laan, Gerrit ^b  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

^b DARESBURY LABORATORY   (United Kingdom)

Author keywords

Auger; Branching ratio; Charge transfer; Impurity model; Multiplet theory; Photoemission; Sum rules; X ray absorption; X ray magnetic dichroism; X ray scattering

Indexed keywords

EID: 0347936502     PISSN: 03682048     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0368-2048(97)00046-7     Document Type: Article

References (94)

1. B.T. Thole, P.T. van Duijnen, On the quantum-mechanical treatment of solvent effects, Theor. Chim. Acta 55 (1979) 307.
2. 2, Phys. Rev. B 19 (1979) 4723.
3. P.T. van Duijnen, B.T. Thole, W.G.J. Hol, On the role of the active site helix in papain, an ab initio molecular-orbital study, Biophys. Chem. 9 (1979) 273.
4. +, Int. J. Quantum Chem. 17 (1980) 651.
5. B.T. Thole, Molecular polarizabilities calculated with a modified dipole interaction, Chem. Phys. 59 (1981) 341.
6. P.T. van Duijnen, B.T. Thole, The α-helix as an ion channel. An ab initio molecular orbital study, Chem. Phys. Lett. 83 (1981) 129.
7. B.T. Thole, P.T. van Duijnen, The direct reaction field hamiltonian: analysis of the dispersion term and application to the water dimer, Chem. Phys. 71 (1982) 211.
8. P.T. van Duijnen, B.T. Thole, Cooperative effects in α-helices: an ab initio molecular orbital study, Biopolymers 21 (1982) 1749.
9. P.T. van Duijnen, B.T. Thole, Electric fields of α-helices, Stud. Phys. Theor. Chem. 18 (1982) 347.
10. B.T. Thole, P.T. van Duijnen, A general population analysis preserving the dipole moment, Theor. Chim. Acta 61 (1983) 209.
11. B.T. Thole, P.T. van Duijnen, Reaction field effects on proton transfer in the active site of actinidin, Biophys. Chem. 18 (1983) 53.
12. B.T. Thole, P.T. van Duijnen, J.C. de Jager, Ab initio calculations with the direct reaction field hamiltonian, in: Structure and Dynamics: Nucleic Acids and Proteins, Adenine Press, New York, 1983, p. 9.
13. B.T. Thole, Least squares numerical Rayleigh-Ritz and minimum variance methods for molecular calculations, Int. J. Quantum Chem. 28 (1985) 535.
14. P.T. van Duijnen, J.C. de Jager, B.T. Thole, Do parallel betastrands have dipole moments: an ab initio molecular orbital direct reaction field study, Biopolymers 24 (1985) 735.
15. B.T. Thole, R.D. Cowan, G.A. Sawatzky, J. Fink, J.C. Fuggle, New probe for the ground state electronic structure of narrow band and impurity states, Phys. Rev. B 31 (1985) 6856.
16. 4,5 X-ray absorption spectra of magnetic rare earth materials, Phys. Rev. Lett. 55 (1985) 2086.
17. n+1 multiplets of the lanthanides, Phys. Rev. B 32 (1985) 5107.
18. G. van der Laan, B.T. Thole, G.A. Sawatzky, J.B. Goedkoop, J.C. Fuggle, J.-M. Esteva, R. Karnatak, J.P. Remeika, H.A. Dabkowska, Experimental proof of magnetic X-ray dichroism, Phys. Rev. B 34 (1986) 6529.
19. G. van der Laan, B.T. Thole, J. Zaanen, G.A. Sawatzky, J.C. Fuggle, R.C. Karnatak, J.M. Esteva, Multiplet effects in near edge XAS for ground state studies, J. Phys. (Paris) Colloq. C 8 (1986) 997.
20. G. van der Laan, B.T. Thole, G.A. Sawatzky, J.C. Fuggle, R.C. Karnatak, J.M. Esteva, B. Lengeler, Identification of the relative population of spin-orbit split states in the ground state of a solid, J. Phys. C 19 (1986) 817.
21. B.T. Thole, G. van der Laan, Systematics of the relation between spin-orbit splitting in the valence band and the branching ratio in X-ray absorption spectra, Europhys. Lett. 4 (1987) 1083.
22. L. Degiorgi, T. Greber, F. Hulliger, R. Monnier, L. Schlapbach, B.T. Thole, 3d core level photoemission spectra of heavy lanthanides: YbP, Europhys. Lett. 4 (1987) 755.
23. B.T. Thole, G. van der Laan, P.H. Butler, Spin-mixed ground state of Fe phthalocyanine and the temperature-dependent branching ratio in X-ray absorption spectroscopy, Chem. Phys. Lett. 149 (1988) 295.
24. B.T. Thole, G. van der Laan, Branching ratio in X-ray absorption spectroscopy, Phys. Rev. B 38 (1988) 3158.
25. B.T. Thole, G. van der Laan, Linear relation between X-ray absorption branching ratio and valence-band spin-orbit expectation value, Phys. Rev. A 38 (1988) 1943.
26. G. van der Laan, B.T. Thole, Determination of glitches in soft X-ray monochromator crystals, Nucl. Instrum. Methods A 263 (1988) 515.
27. G. van der Laan, B.T. Thole, Angular dependent photoelectric yield. Measurement of the La3d Auger and autoionization lifetime widths, J. Electron Spectrosc. Relat Phenom. 46 (1988) 123.
28. G. van der Laan, B.T. Thole, Local probe for spin-orbit interaction, Phys. Rev. Lett. 60 (1988) 1977.
29. 3+ compounds, Phys. Rev. B 37 (1988) 6587.
30. J.B. Goedkoop, B.T. Thole, G. van der Laan, G.A. Sawatzky, F.M.F. de Groot, J.C. Fuggle, Calculations of magnetic X-ray dichroism in the 3d absorption spectra of the rare earths, Phys. Rev. B 37 (1988) 2086.
31. J.B. Goedkoop, J.C. Fuggle, B.T. Thole, G. van der Laan, G.A. Sawatzky, Circularly polarized line filters in the soft X-ray range, Nucl. Instrum. Methods A 273 (1988) 429.
32. J.B. Goedkoop, J.C. Fuggle, B.T. Thole, G. van der Laan, G.A. Sawatzky, Magnetic X-ray dichroism of rare earth materials, J. Appl. Phys. 64 (1988) 5595.
33. F.U. Hillebrecht, V. Sechovsky, B.T. Thole, Dilute uranium alloys: test cases for the 5f electronic structure, J. Magn. Magn. Mater. 76-77 (1988) 353.
34. F.U. Hillebrecht, H.J. Trodahl, V. Sechovsky, B.T. Thole, U impurities in Au, Z. Phys. B 77 (1989) 373.
35. 2, Phys. Rev. B 40 (1989) 65.
36. G. van der Laan, B.T. Thole, Magnetic dichroism in the X-ray absorption branching ratio, Phys. Rev. B 42 (1990) 6670.
37. h (octahedral symmetry), Phys. Rev. B 41 (1990) 928.
38. F.M.F. de Groot, J.C. Fuggle, B.T. Thole, G.A. Sawatzky, 2p X-ray absorption of 3d transition-metal compounds: an atomic multiplet description including the crystal field, Phys. Rev. B 42 (1990) 5459.
39. F.M.F. de Groot, M. Grioni, J.C. Fuggle, B.T. Thole, J. Ghijsen, G.A. Sawatzky, Ligand field effects in XAS of 3d transition metal compounds, Proc. XSRR, Eds. A. Balerna, E. Bernieri and S. Mobilio, SIF, Bologna, 1990.
40. 4, J. Less-Common Metals 164 (1990) 1514.
41. K. Okada, A. Kotani, B.T. Thole, G.A. Sawatzky, Polarization dependence of core-level XPS in anisotropic solids, Solid State Commun. 76 (1990) 1277.
42. B.T. Thole, G. van der Laan, Spin polarization and magnetic dichroism in photoemission from core and valence states in localized magnetic systems, Phys. Rev. B 44 (1991) 12424.
43. B.T. Thole, G. van der Laan, Origin of spin polarization and magnetic dichroism in core level photoemission, Phys. Rev. Lett. 67 (1991) 3306.
44. G. van der Laan, B.T. Thole, Strong magnetic X-ray dichroism in 2p absorption spectra of 3d transition-metal ions, Phys. Rev. B 43 (1991) 13401.
45. M. Abbate, F.M.F. de Groot, J.C. Fuggle, A. Fujimori, Y. Tokura, Y. Fujishima, O. Strebel, M. Domke, G. Kaindl, J. van Elp, B.T. Thole, G.A. Sawatzky, M. Sacchi, N. Tsuda, Soft X-ray absorption studies of the electronic structure of controlled-valence materials, Phys. Rev. B 44 (1991) 5419.
46. P. Carra, B.N. Harmon, B.T. Thole, M. Altarelli, G.A. Sawatzky, Magnetic X-ray dichroism in gadolinium metal, Phys. Rev. Lett. 66 (1991) 2495.
47. 3, Phys. Rev. B 44 (1991) 5465.
48. 2 and some other rare earth compounds, Phys. Rev. B 43 (1991) 854.
49. H. Ogasawara, A. Kotani, B.T. Thole, Calculation of magnetic X-ray dichroism in 4d and 5d absorption spectra of actinides, Phys. Rev. B 44 (1991) 2169.
50. F.J. Himpsel, U.O. Karlsson, A.B. McLean, L.J. Terminello, F.M.F. de Groot, M. Abbate, J.C. Fuggle, J.A. Yarmoff, B.T. Thole, G.A. Sawatzky, Fine structure of the Ca 2p X-ray absorption edge for bulk compounds, surfaces and interfaces, Phys. Rev. B 43 (1991) 6899.
51. 2 from Cu 2p X-ray photoemission and photoabsorption spectra, Solid State Commun. 77 (1991) 835.
52. B.T. Thole, P. Carra, F. Sette, G. van der Laan, X-ray circular dichroism as a probe of orbital magnetization, Phys. Rev. Lett. 68 (1992) 1943.
53. G. van der Laan, B.T. Thole, Electronic correlations in Ni 2p and 3p magnetic X-ray dichroism and X-ray photoemission of ferromagnetic nickel, J. Phys.: Condens. Matter 4 (1992) 4181.
54. G. van der Laan, B.T. Thole, H. Ogasawara, Y. Seino, A. Kotani, Strong resonances in core-level photoemission, Phys. Rev. B 46 (1992) 7221.
55. G. van der Laan, M. Surman, M.A. Hoyland, C.F.J. Flipse, B.T. Thole, Y. Seino, H. Ogasawara, A. Kotani, Resonant photoemission at the Ni 2p core level as a probe of electron correlation effects in nickel, Phys. Rev. B 46 (1992) 9336.
56. G. van der Laan, B.T. Thole, Classification for angle dependent polarized photoemission spectra using magnetic moment analysis, Solid State Commun. 92 (1994) 427 .
57. 3 studied by soft X-ray absorption spectroscopy, Phys. Rev. B 46 (1992) 4511.
58. K. Okada, A. Kotani, B.T. Thole, Charge transfer satellites and multiplet splitting in X-ray photoemission spectra of late transition metal halides, J. Electron Spectrosc. Relat. Phenom. 58 (1992) 325.
59. Y. Seino, H. Ogasawara, A. Kotani, B.T. Thole, G. van der Laan, Calculation of Cu 2p resonant photoemission spectra in CuO, J. Phys. Soc. Jpn. 61 (1992) 1859.
60. C.C. Tang, W.G. Stirling, G.H. Lander, D. Gibbs, W. Herzog, P. Carra, B.T. Thole, K. Mattenberger, O. Vogt, Resonant magnetic X-ray scattering in a series of uranium compounds, Phys. Rev. B 46 (1992) 5287.
61. 3, Solid State Commun. 81 (1992) 645.
62. B.T. Thole, G. van der Laan, Sum rules for magnetic dichroism in rare earth 4f photoemission, Phys. Rev. Lett. 70 (1993) 2499.
63. B.T. Thole, X.D. Wang, B.N. Harmon, Dongqi Li, P.A. Dowben, Multiplet fine structure in the photoemission of the gadolinium and terbium 5p levels, Phys. Rev. B 47 (1993) 9098.
64. G. van der Laan, B.T. Thole, Spin polarization and magnetic dichroism in photoemission from core and valence states in localized magnetic systems. II. Emission from open shells, Phys. Rev. B 48 (1993) 210.
65. P. Carra, B.T. Thole, M. Altarelli, X. Wang, X-ray circular dichroism and local magnetic fields, Phys. Rev. Lett. 70 (1993) 694.
66. P. Carra, H. König, B.T. Thole, M. Altarelli, Magnetic X-ray dichroism. General features of dipolar and quadrupolar spectra, Physica B 192 (1993) 182.
67. L.H. Tjeng, C.T. Chen, P. Rudolf, G. Meigs, G. van der Laan, B.T. Thole, Magnetic circularly polarized 2p resonant photoemission of nickel, Phys. Rev. B 48 (1993) 13 378.
68. 8, Z. Phys. B 90 (1993) 89.
69. D.B. McWhan, E.D. Isaacs, Paolo Carra, S.M. Shapiro, B.T. Thole, S. Hoshino, Resonant magnetic X-ray scattering from mixed-valence TmSe, Phys. Rev. B 47 (1993) 8630.
70. 2, Phys. Rev. B 47 (1993) 6203.
71. B.T. Thole, Information in polarized X-ray absorption spectroscopy and photoemission spectroscopy, J. Appl. Phys. 10 (1994) 5807.
72. B.T. Thole, G. van der Laan, M. Fabrizio, Magnetic ground-state properties and spectral distributions. I. X-ray absorption spectra, Phys. Rev. B 50 (1994) 11 466.
73. B.T. Thole, G. van der Laan, Magnetic ground-state properties and spectral distributions. II. Polarized photoemission, Phys. Rev. B 50 (1994) 11 474.
74. B.T. Thole, G. van der Laan, Spin polarization and magnetic dichroism in photoemission from core and valence states in localized magnetic systems. III. Angular distribution, Phys. Rev. B 49 (1994) 9613.
75. G. van der Laan, M.A. Hoyland, M. Surman, C.F.J. Flipse, B.T. Thole, Surface orbital magnetic moment of ferromagnetic nickel studied by circular magnetic dichroism in Ni 3p core level photoemission, Phys. Rev. Lett. 69 (1992) 3827; Erratum, 70 (1993) 1186.
76. P. Carra, B.T. Thole, Anisotropic X-ray anomalous diffraction and forbidden reflections, Rev. Mod. Phys. 66 (1994) 1509.
77. H. Ogasawara, A. Kotani, B.T. Thole, Lifetime effect on the multiplet structure of 3d X-ray photoemission spectra in heavy rare-earth elements, Phys. Rev. B 50 (1994) 12 332 .
78. B.T. Thole, H.A. Dürr, G. Van der Laan, Core hole polarization in X-ray absorption studied by magnetic circular dichroism in 2p3p3p resonant photoemission, Phys. Rev. Lett. 74 (1995) 2371.
79. G. van der Laan, B.T. Thole, Spin polarization and magnetic dichroism in photoemission from core and valence states in localized magnetic systems. IV. Core hole polarization in resonant photoemission, Phys. Rev. B 52 (1995) 15 355.
80. G. van der Laan, B.T. Thole, Core hole polarization in resonant photoemission, J. Phys.: Condens. Matter 7 (1995) 9947.
81. D. Alders, J. Vogel, C. Levelut, S.D. Peacor, T. Hibma, M. Sacchi, L.H. Tjeng, C.T. Chen, G. van der Laan, B.T. Thole, G.A. Sawatzky, Magnetic X-ray dichroism study of the nearest neighbour spin-spin correlation function and long range magnetic order parameter in antiferromagnetic NiO, Europhys. Lett. 32 (1995) 259.
82. 3, Vacuum 46 (1995) 1105.
83. P. Carra, M. Fabrizio, B.T. Thole, High resolution X-ray resonant Raman scattering, Phys. Rev. Lett. 74 (1995) 3700.
84. A.H. de Vries, P.Th. van Dijnen, J.A.C. Rullman, J.P. Dijkman, H. Merenga, B.T. Thole, Implementation of reaction field methods in quantum chemistry computer codes, J. Comput. Chem. 16 (1995) 37.
85. G. van der Laan, B.T. Thole, X-ray absorption sum rules in jj-coupled operators and ground state moments of actinide ions, Phys. Rev. B 53 (1996) 14458.
86. P. Carra, M. Fabrizio, G. Santoro, B.T. Thole, Magnetic X-ray Compton scattering, Phys. Rev. B 53 (1996) 5994.
87. J.P. Crocombette, B.T. Thole, F. Jollet, The importance of the magnetic dipole term in MCD for 3d transition metal compounds, J. Phys.: Condens. Matter 8 (1996) 4095.
88. H.A. Dürr, G.Y. Guo, B.T. Thole, G. van der Laan, Magnetocrystalline anisotropy of ultrathin Fe films in Ni(110), J. Phys.: Condens. Matter, 8 (1996) 111.
89. H.A. Dürr, G. van der Laan, B.T. Thole, Microscopic origin of magnetocrystalline anisotropy in Au/Co/Au probed with X-MCD (comment), Phys. Rev. Lett. 76 (1996) 3464.
90. Y. Teramura, A. Tanaka, B.T. Thole and T. Jo, Effect of Coulomb interaction on the X-ray MCD spin sum rule, J. Phys. Soc. Jpn. 65 (1996) 3056.
91. 3(0001) films on sapphire, Surf. SCi. 366 (1996) 579.
92. 2,3 edges, J. Electron Spectrosc. Relat. Phenom. 86 (1997) 151.
93. J.B. Goedkoop, N. Brookes, M. van Veenendaal, B.T. Thole, Soft X-ray fluorescence yield X-ray MCD sum rules, J. Electron Spectrosc. Relat. Phenom. 86 (1997) 143.
94. G. van der Laan, B.T. Thole, AnisotropiC branching ratio in X-ray absorption spectra, J. Electron Spectrosc. Relat. Phenom. 86 (1997) 57.