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Aluminum X-ray absorption near-edge spectra of some oxide minerals: Calculation versus experimental data

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Abstract

Al X-ray absorption K-edge spectra were calculated for atom clusters which simulate Al surrounded by oxygens in tetrahedral and octahedral environments in five minerals, and are compared with experimental Al K-edge spectra from the same minerals. The experimental data show simple edges, for Al tetrahedra, that are shifted to lower energy by 2 eV compared with more complicated edges for Al octahedra. The calculated edge itself is due to a strong 1s to 3p resonance in the μ0 for Al. The shifting of the calculated edges is due to different molecular potentials used and different types of atomic scattering. The calculated edge features for tetrahedral Al are all similar, and are due primarily to single scattering from the tetrahedral oxygens. Calculated edge features for octahedral Al are more complicated and are dominated by multiple scattering. The calculated edge features resemble the experimental data, but are much larger in amplitude than their experimental counterparts.

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References

  • Bradley CR, Wroge ML, Dozier AK, Gibbons PC (1985) Phys Rev B 31:5066

    Google Scholar 

  • Brown GE, Dikmen FD, Waychunas GA (1983) S.S.R.L. Report No. 1983/01, Proposal No. 741

  • Bunker GB (1984) An X-ray absorption study of transition metal oxides. Ph.D. Dissertation, Department of Physics, University of Washington, Seattle, WA

    Google Scholar 

  • Bunker G, Stern EA (1984) Phys Rev Lett 52:1990

    Google Scholar 

  • Burnham CW (1963) Z Kristallogr 118:127

    Google Scholar 

  • Durham PJ, Pendry JB, Hodges CH (1982) Comput Phys Commun 25:193

    Google Scholar 

  • Harlow GE, Brown GE (1980) Am Mineral 65:986

    Google Scholar 

  • Herman F, Skillman S (1963) Atomic structure calculations. Prentice-Hall, Englewood Cliffs, NJ

    Google Scholar 

  • Keski-Rahkonen O, Krause MO (1974) Total and partial atomiclevel widths. At Data Nucl Data Tables 14:144

    Google Scholar 

  • Matheiss L (1964) Phys Rev A 134:970

    Google Scholar 

  • McKeown DA, Waychunas GA, Brown GE (1985) J Non-Cryst Solids 74:349

    Google Scholar 

  • Müller JE, Schaich WL (1983) Phys Rev B 27:6489

    Google Scholar 

  • Newnham RE, DeHaan YM (1962) Z Kristallogr 117:235

    Google Scholar 

  • Prewitt CT, Burnham CW (1966) Am Mineral 51:956

    Google Scholar 

  • Schwartz K (1972) Phys Rev B 5:2466

    Google Scholar 

  • Simmons WB, Peacor DR (1972) Am Mineral 57:1711

    Google Scholar 

Download references

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  1. David A. McKeown

    Present address: National Institute of Standards and Technology, Building 225, Room A305, 20899, Gaithersburg, MD, USA

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  1. Institute for Structural and Functional Studies, University City Science Center, 3401 Market St., Suite 320, 19104, Philadelphia, PA, USA

    David A. McKeown

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  1. David A. McKeown
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McKeown, D.A. Aluminum X-ray absorption near-edge spectra of some oxide minerals: Calculation versus experimental data. Phys Chem Minerals 16, 678–683 (1989). https://doi.org/10.1007/BF00223317

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  • DOI: https://doi.org/10.1007/BF00223317

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