The effect of XPS background removing method on the appraisal of Ti and Fe: The case of phlogopites and brookite

American Mineralogist

Volumn 99, Issue 1, 2014, Pages 139-148

  Guascito, Maria R ^a   Mesto, Ernesto ^b   Malitesta, Cosimino ^a   Picca, Rosaria A ^a   Scordari, Fernando ^a  

^a UNIVERSITY OF SALENTO   (Italy)

^b UNIVERSITY OF BARI   (Italy)

Author keywords

Background subtraction; Brookite; Fe; Mica; Ti oxidation state; XPS

Indexed keywords

IRON; OXIDE MINERALS; STRUCTURAL METALS; TITANIUM; TITANIUM DIOXIDE; X RAY PHOTOELECTRON SPECTROSCOPY;

BACKGROUND REMOVING; BACKGROUND SUBTRACTION; BROOKITE; OXIDATION STATE; SHAPE PARAMETERS; SITE DISTRIBUTION; SUPPLEMENTARY INFORMATION; TRANSITION ELEMENT;

MICA;

CRYSTAL STRUCTURE; IRON; MICA; OXIDATION; PHLOGOPITE; SIZE DISTRIBUTION; TITANIUM; X-RAY SPECTROSCOPY;

MICAS;

EID: 84892171347     PISSN: 0003004X     EISSN: 19453027     Source Type: Journal    
DOI: 10.2138/am.2014.4451     Document Type: Article

References (60)

1. Aronniemi, M., Sainio, J., and Lahtinen, L. (2005) Chemical state quantification of iron and chromium oxides using XPS: The effect of the background subtraction method. Surface Science, 578, 108-123, DOI: 10.1016/j.susc.2005.01.019.
2. Berg, C., Raaen, S., Borg, A., Andersen, J.N., Lundgren, E., and Nyholm, R. (1993) Observation of a low-binding-energy peak in the 2p core-level photoemission from oxidized Al(111). Physical Review B, 47, 13063-13066, DOI: 10.1103/ PhysRevB.47.13063.
3. Borr, T. (1993) Modern ESCA, the Principles and Practice of X-ray Photoelectron Spectroscopy. CRC Press, Boco Raton, Florida.
4. Castle, J.E. (2002) A wizard source of expertise in XPS. Surface and Interface Analysis, 33, 196-202, DOI: 10.1002/sia.1202.
5. Castle, J.E., and Salvi, A.M. (2001a) Chemical state information from the near-peak region of the X-ray photoelectron background. Journal of Electron Spectroscopy and Related Phenomena, 114-116, 1103, DOI: 10.1016/S0368- 2048(00)00305-4.
6. - (2001b) Characterisation and use of intrinsic background in XPS. Analytical Sciences, 17, i147-i150.
7. Castle, J.E., Chapman-Kpodo, H., Proctor, A., and Salvi A.M. (2000) Curve-fitting in XPS using extrinsic and intrinsic background structure. Journal Electron Spectroscopy and Related Phenomena, 106/1, 65-80.
8. Castle, J.E., Salvi, A.M., and Guascito, M.R. (2001) Analysis of the X-ray photoelectron energy-loss background in silicides. Surface and Interface Analysis, 31, 881-889, DOI: 10.1002/sia.1124.
9. Cazoux, J. (1999) Mechanisms of charging in electron spectroscopy. Journal of Electron Spectroscopy and Related Phenomena, 105, 155-185, DOI: 10.1016/ S0368-2048(99)00068-7.
10. Cesare, B., Cruciani, G., and Russo, U. (2003) Hydrogen deficiency in Ti-rich biotite from anatectic metapelites (El Joyazo, SE Spain): Crystal-chemical aspects and implications for high-temperature petrogenesis. American Mineralogist, 88, 583-595.
11. Dyar, D.M. (2002) Optical and Mössbauer spectroscopy of iron micas. In A. Mottana, F.P. Sassi, J.B. Thompson, Jr., and S. Guggenheim, Eds., Micas: Crystal chemistry and metamorphic petrology, 46, p. 313-350. Reviews in Mineralogy and Geochemistry, Mineralogical Society of America, Chantilly, Virginia.
12. Fuggle, J.C., Campagna, M., Zolmierek, Z., Lässer, R., and Platou, A. (1980) Observation of a Relationship between core-level line shapes in photoelectron spectroscopy and the localization of screening orbitals. Physical Review Letters, 45, 1597-1600, DOI: 10.1103/PhysRevLett.45.1597.
13. Ghosh, T.B., and Sreemany, M. (1993) On the selection of an integration limit for quantitative XPS analysis. Applied Surface Science, 64, 59-70, DOI: 10.1016/0169-4332(93)90021-3.
14. Grosvenor, A.P., Kobe, B.A., Biesinger, M.C., and McIntyre, N.S. (2004) Investigation of multiplet splitting of Fe 2p XPS spectra and bonding in iron compounds. Surface and Interface Analysis, 36, 1564-1574.
15. Hawthorne, F.C. (1988) Mössbauer spectroscopy. In F.C. Hawthorne, Ed., Spectroscopic Method in Mineralogy and Geology, 18, p. 255-340. Reviews in Mineralalogy, Mineralogical Society of America, Chantilly, Virginia.
16. Henry, D.J., and Guidotti, C. (2002) Titanium in biotite from metapelitic rocks: Temperature effects, crystal-chemical controls, and petrologic applications. American Mineralogist, 87, 375-382.
17. Henry, D.J., Guidotti, C., and Thomson, J.A. (2005) The Ti-saturation surface for low-to-medium pressure metapelitic biotites: Implications for geothermometry and Ti-substitution mechanisms. American Mineralogist, 90, 316-328, DOI: 10.2138/am.2005.1498.
18. 2/Si interface. Physical Review B, 38, 6084-6096, DOI: 10.1103/PhysRevB.38.6084.
19. Jansson, C., Tougaard, S., Beamson, G., Briggs, D., Davies, S.F., Rossi, A., Hauert, R., Hobi, G., Brown, N.M.D., Meenan, B.J., and others. (1995) Intercomparison of algorithms for background correction in XPS. Surface Interface Analysis, 23, 484, DOI: 10.1002/sia.740230708.
20. Karlesen, T., Sathe, L.J., Borve, K.J., Berreh, N., Kukk, E., Bozek, J.D., Coroll, T.X., and Thomas, T.D. (2001) Vibrational structure and vibronic coupling in the carbon 1s photoelectron spectra of ethane and deuteroethane. Journal of Physical Chemistry A, 105, 7700-7706.
21. Kühberger, A., Fehr, T., Huckenholz, H.G., and Amthauer, G. (1989) Crystal chemistry of a natural schorlomite and Ti-andradites synthetised at different oxygen fugacity. Physics and Chemistry of Minerals, 16, 734-740, DOI: 10.1007/BF00209694.
22. Lacalamita, M., Mesto, E., Scordari, F., and Schingaro, E. (2012) Chemical and structural study of 1M- and 2M1-phlogopites coexisting in the same Kasenyi kamafugitic rock (SW Uganda). Physics and Chemistry of Minerals, 39, 601-611, DOI: 10.1007/s00269-012-0515-y.
23. Langerame, F., Salvi, A.M., Silletti, M., and Moretti, G. (2008) XPS characterization of a synthetic Ti-containing MFI zeolite framework: the titanosilicalites-TS-1. Surface and Interface Analysis, 40, 695-699.
24. Malitesta, C., Losito, I., Scordari, F., and Schingaro, E. (1995) XPS investigation of titanium in melanites from Monte Vulture (Italy). European Journal of Mineralogy, 7, 847-858.
25. Marabini, A.M., Contini, G., and Cozza, C. (1993) Surface spectroscopic techniques applied to the study of mineral processing. International Journal of Mineral Processing, 38, 1-20, DOI: 10.1016/0301-7516(93)90062.
26. Mesto, E., Scordari, F., Lacalamita, M., and Schingaro, E. (2012) Tobelite and NH4+-rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry. American Mineralogist, 97, 1460-1468, DOI: 10.2138/am.2012.4023.
27. More, J. (1978) The Levenberg-Marquardt algorithm: Implementation and theory. Lecture Notes in Mathematics, 630, 105-116, DOI: 10.1007/BFb0067700.
28. Moretti, G., Salvi. A.M., Guascito, M.R., and Langerame, F. (2004) An XPS study of microporous and mesoporous titanosilicates. Surface and Interface Analysis, 36, 1402-1412.
29. 2 powder studied by hard and soft (Cu Kα1 and Al Kα1) X-ray photoelectron and Auger spectroscopy. Journal of Electron Spectroscopy and Related Phenomena, 152, 148-151, DOI: 10.1016/j.elspec.2006.05.003.
30. Nesbitt, H.W., Bancroft, G.M., Davison, R., McIntyre, N.S., and Pratt, A.R. (2004) Minimum XPS core-level line widths of insulators, including silicate minerals. American Mineralogist, 89, 878-882.
31. Nyholm, R., Martensson, N., Lebugle, A., and Axelsson, U. (1981) Auger and Coster-Kronig broadening effects in the 2p and 3p photoelectron spectra from the metals 22Ti-30Zn. Journal of Physics F: Metal Physics, 11, 1727-1733.
32. 2+) -Ti (super 4+) charge-transfer in a garnets from mantle eclogites. European Journal of Mineralogy, 3, 19-26.
33. Powell, C.J., and Seah, M.P. (1990) Precision, accuracy, and uncertainty in quantitative surface analyses by Auger-electron spectroscopy and X-ray photoelectron spectroscopy. Journal of Vacuum Science and Technology A: Vacuum, Surfaces, and Films, 8, 735-763, DOI: 10.1116/1.576956.
34. Rager, H., Geiger, C.A., and Stalh, A. (2003) Ti(III) in Msynthetic pyrope A single-crystal electron paramagnetic resonance study. European Journal of Mineralogy, 15, 697-699, DOI: 10.1127/0935-1221/2003/0015-0697.
35. Repoux, M. (1992) Comparison of background removal methods for XPS. Surface and Interface Analysis, 18, 567-570, DOI: 10.1002/sia.740180719.
36. Salvi, A.M., and Castle, J.E. (1998a) The intrinsic asymmetry of photoelectron peaks: Dependence on chemical state and role in curve fitting. Journal of Electron Spectroscopy and Related Phenomena, 95, 45-56, DOI: 10.1016/ S0368-2048(98)00205-9.
37. - (1998b) The intrinsic asymmetry component of the "total background" in XP spectra. Journal of Electron Spectroscopy and Related Phenomena, 94, 73-87, DOI: 10.1016/S0368-2048(98)00083-8.
38. Salvi, A.M., Guascito, R.M., and Langerame, F. (2004) An XPS study of microporous and mesoporous titanosilicates. Surface and Interface Analysis, 36, 1402-1412.
39. Schingaro, E., Scordari, F., and Ventruti, G. (2001) Trioctahedral micas-1M from Mt. Vulture (Italy): Structural disorder and crystal chemistry. European Journal of Mineralogy, 13, 1057-1069, DOI: 10.1127/0935-1221/2001/0013- 1057.
40. Schingaro, E., Scordari, F., Pedrazzi, G., and Malitesta, C. (2004) Ti and Fe speciation by X-ray photoelectron spectroscopy for a crystal full chemical characterization of Ti-Fe garnet from Colli Albani (Italy). Annali di Chimica, 94, 185-196.
41. Schingaro, E., Scordari, F., Mesto, E., Brigatti, M.F., and Pedrazzi, G. (2005) Cation-site partitioning in Ti-rich micas from Black Hill (Australia): A multi-technical approach. Clays and Clay Minerals, 53, 179-189, DOI: 10.1346/ CCMN.2005.0530208.
42. Schingaro, E., Lacalamita, M., Scordari, F., and Mesto, E. (2013) 3T-phologopite from Kasenyi kamafugite (SW Uganda): EPMA, XPS, FTIR and SCXRD study. American Mineralogist, 98, 709-717, DOI: 10.2138/am.2013.4283.
43. Scofield, J.H. (1976) Hartree-Slater subshell photoionization cross-section at 1254 and 1487 eV. Journal of Electron Spectroscopy and Related Phenomena, 8, 29, DOI: 10.1016/0368-2048(76)80015-1.
44. Scordari, F., Ventruti, G., Sabato, A., Bellatreccia, F., Della Ventura, G., and Pedrazzi, G. (2006) Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical approach: Substitutional mechanisms and orientation of the OH dipoles. European Journal of Mineralogy, 18, 379-391, DOI: 10.1127/0935-1221/2006/0018-0379.
45. Scordari, F., Schingaro, E., Mesto, E., and Lacalamita, M. (2012a) 2M1-phlogopite from Black Hills (South Australia): The first case of configurational polytype in micas. American Mineralogist, 97, 2016-2033, DOI: 10.2138/am.2012.4262.
46. Scordari, F., Schingaro, M., Lacalamita, M., and Mesto, E. (2012b) Crystal chemistry of trioctahedral micas-2M1 from Bunyaruguru (SW Uuganda) Kamafugite. American Mineralogist, 97, 430-439, DOI: 10.2138/am.2012.3896.
47. Seah, M.P., Gilmore, I.S., and Spencer, S.J. (2000) Background subtraction: II. General behaviour of REELS and the Tougaard universal cross section in the removal of backgrounds in AES and XPS. Surface Science, 461, 1-15, DOI: 10.1016/S0039-6028(00)00373-3.
48. 3) minerals. Journal of Physics: Condensed Matter, 16, 2707-2718, DOI: 10.1088/0953-8984/16/15/022.
49. Seyama, H., and Soma, M. (1985) Bonding-state characterization of the constituent elements of silicate minerals by X-ray photoelectron spectroscopy. Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, 81, 485-495, DOI: 10.1039/F19858100485.
50. Sherman, D.M. (1987) Molecular orbital (SCF-Xα-SW) theory of metal-metal charge transfer processes in minerals. Physics and Chemistry of Minerals, 14, 364-367, DOI: 10.1007/BF00309811.
51. Sherwood P.M.A. (1983) Appendix 3. Data analysis in X-ray photoelectron spectroscopy. In D. Briggs and M.P. Seah, Eds., Practical Surface Analysis by Auger and X-ray Photoelectron Spectroscopy, p. 445-475. Wiley , New York.
52. Shirley, D.A. (1972) High-resolution X-ray photoemission spectrum of the valence bands of gold. Physical Review B, 5, 4709-4714, DOI: 10.1103/ PhysRevB.5.4709.
53. Tam, P.L., Cao, Y., and Nyborg, L. (2012) XRD and XPS characterisation of transition metal silicide thin films. Surface Science, 606, 329-336, DOI:10.1016/j. susc.2011.10.015.
54. Tougaard, S. (1988a) Quantitative analysis of the inelastic background in surface electron spectroscopy. Surface and Interface Analysis, 11, 453-472, DOI: 10.1002/sia.740110902.
55. - (1988b) In-depth concentration profile information through analysis of the entire XPS peak shape. Applied Surface Science, 32, 332-337, DOI: 10.1016/0169-4332(88)90018-9.
56. - (1997) Universality classes of inelastic electron scattering cross-sections. Surface and Interface Analysis, 25, 137-154.
57. Tougaard, S., and Sigmund, P. (1982) Influence of elastic and inelastic scattering on energy spectra of electrons emitted from solids. Physical Review B, 25, 4452-4446, DOI: 10.1103/PhysRevB.25.4452.
58. Van Veenendoal, M.A., and Sauotzky, G.A. (1993) Nonlocal screening effects in 2p X-ray photoemission spectroscopy core-level line shapes of transition metal compounds. Physical Review Letters 70, 2459-2462, DOI: 10.1103/ PhysRevLett.70.2459.
59. Waychunas, G.A. (1987) Synchrotron radiation XANES spectroscopy of Ti in minerals: Effects of Ti bonding distances, Ti valence and site geometry on absorption edge structure. American Mineralogist, 72, 89-101.
60. Ventruti, G., Levy, D., Pavese, A., and Scordari, F. (2009) High-temperature treatment, hydrogen behavior and cation partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron powder diffraction and FTIR spectroscopy. European Journal of Mineralogy, 21, 385-396, DOI: 10.1127/0935- 1221/2009/0021-1903.