Research Interests

Experimental and theoretical studies of X-ray absorption spectroscopy with synchrotron radiation.

Theses 

Theses of my research students are stored in zipped pdf form via links on the left hand panel.

Thesis of Robert Pettifer (1978)

This thesis is entitled "The Determination of Structure of some Chalcogenide Glasses studied by Extended X-ray Absorption Fine Structure (EXAFS)" but it contains a lot of material concerning the theory and the measurement of the effect itself. The thesis contains data from and an analysis of a conventional (x-ray tube) EXAFS apparatus. Theoretically calculations are perfomed on the effects of wave curvature for the first coordination shell of an aresenic emitter surounded by oxygen, sulphur, selenium and tellurium atoms. Conclusions are drawn concerning the structure of As₂O_3, As₂S_3, As₂Se₃, As₂Te₃ and As₂S₃Se₃ glasses.

Thesis of Dave Foulis

This thesis is entitled "The Effects of the Use of Full Potentials in the Calculation of Xray Absorption Near-edge Structure by the Multiple-Scattered-Wave X-alpha Method" The thesis describes the coding and testing of the Full Potential scattered wave theory of Natoli Benfatto and Doniach (1986) with its essential modifications for computation. The theory is compare to the analytic results for a hydrogen molecular ion and for the continuum cross-section of Li²⁺.  Ohter calculation are performed for Cr(CO)₆. In all cases, the removal of the muffin tin approximation is found to be significant.

Thesis of Paul Loefen (1994)

This thesis is entitled "Ab Inito Calculaion of the Temperature Dependence of EXAFS: Muliple Scattering and Configurational Averaging for a Biologicaly Significant Model Complex  (Zinc Tetraimidazole Complex)" and investigates the effectiveness of Translational Librational and Screw(TLS) analysis of x-raydiffraction data in deducing the local vibrational structure. Following this Inelastic Neutron Spectroscopy (INS) was measured and fully analysed for the biologically important zinc tetraimidazole perclorate and boroflorate including deuterated forms. This analysis alone constitutes the largest complex to this date(2007) which has been tackled and acts as an example of how the analysis should proceed. With the full vibrational model the EXAFS including all multple scattering upto third order was calculated and compared to temperature dependent EXAFS data.

Thesis of Gwydaf Evans

This Thesis is entitled "The method of Multiple wavelength Anomalous Diffraction using Synchroton Radiation at Optimal Energies: Application to Protein Crystallography."  

Thesis of Debbie Hill

This thesis is entitled " 

Thesis of Matthew Hanham

Thesis of Matthew Ruffoni 

Write to:

Department of Physics, University of Warwick, Coventry, CV4 7AL

Contact Details:

Office:
Telephone:
+44 (0)2476523919
Fax:
+44 (0)2476692016
E-Mail:
rfpettifer@yahoo.co.uk

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