Use this URL to cite or link to this record in EThOS: | https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.486008 |
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Title: | Theory of resonant x-ray scattering in the heavy rare earth metals | ||||
Author: | Zarychta, Bernard |
ISNI:
0000 0001 3576 8720
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Awarding Body: | University of Keele | ||||
Current Institution: | Keele University | ||||
Date of Award: | 2008 | ||||
Availability of Full Text: |
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Abstract: | |||||
The basic structural &magnetic properties of rare earth ions and metals are discussed.A theory of the electronic structure of rare earth ions is introduced using Self Interaction
Corrected Relativistic Spin polarised Density FUnctional Theory (SIC-R-SP-DFT). The
~rystal environment is modelled using the Linear Muffin Tin Orbital (LMTO) method.
X-ray scattering from a single electron is discussed using covariant perturbation theory
and is then elaborated on for the SIC-R-SP-LMTO environment. The details of the xray
scattering calcul~tions are considered. Results for x-ray scattering from the heavy
rare earths from Gadolinium to Thulium are compared to experiment. It is found
that the asymmetry ratio determined in an ab-initio fashion using the aforementioned
elements compares favourably with experimental data. The secondary feature of the
asymmetry ratio for a particular geometry is found to be dipolar in nature.
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Supervisor: | Not available | Sponsor: | Not available | ||
Qualification Name: | Thesis (Ph.D.) | Qualification Level: | Doctoral | ||
EThOS ID: | uk.bl.ethos.486008 | DOI: | Not available | ||
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