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Kunz, A.B. Boisvert, Joseph Charles 2011-06-08T14:47:04Z 2011-06-08T14:47:04Z 10000-01-01 1984 The local exciton spectra of some alkali-halide insulators and impurity doped lithium metal are calculated using atomic clusters to simulate the bulk solid. The calculations are ab initio and use unrestricted Hartree-Fock and second order many body perturbation techniques. Accurate results are obtained for sodium fluoride by incorporating these techniques into a simple Born-Haber type cycle that requires only free space atomic and ionic data to predict where the Na LI1,III edge exciton is located. Highly accurate results are obtained for lithium fluoride and a new interpretation of the soft x-ray region of that material is presented. The local absorption spectra of lithium metal doped with several divalent impurities are investigated. A theory explaining why several different impurity species exhibit the same spectrum in the dilute impurity limit is presented. The absorption spectra for various concentrations of magnesium and zinc in lithium metal are explained using a theory developed by Fano along with calculational results. Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-08T14:30:33Z No. of bitstreams: 1 1984_boisvert.pdf: 3400655 bytes, checksum: 27991edebebe1203e789f86cd30078c9 (MD5) Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-08T14:35:37Z No. of bitstreams: 1 1984_boisvert.pdf: 3400655 bytes, checksum: 27991edebebe1203e789f86cd30078c9 (MD5) Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-08T14:35:47Z No. of bitstreams: 1 1984_boisvert.pdf: 3400655 bytes, checksum: 27991edebebe1203e789f86cd30078c9 (MD5) Restriction data tranferred 2014-07-01T11:09:02-05:00 Original Data Group with Access UIUC Users [automated] Release Date: none Reason: Thesis Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-08T14:46:47Z No. of bitstreams: 1 1984_boisvert.pdf: 3400655 bytes, checksum: 27991edebebe1203e789f86cd30078c9 (MD5) Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-08T14:47:00Z No. of bitstreams: 1 1984_boisvert.pdf: 3400655 bytes, checksum: 27991edebebe1203e789f86cd30078c9 (MD5) Made available in DSpace on 2011-06-08T14:47:04Z (GMT). No. of bitstreams: 1 1984_boisvert.pdf: 3400655 bytes, checksum: 27991edebebe1203e789f86cd30078c9 (MD5) Previous issue date: 1984 Item marked as restricted to the 'UIUC Users [automated]' Group (id=2) by Carolyn Mead (cmead2@illinois.edu) on 2011-06-08T14:47:06Z Item is restricted indefinitely. Thesis U of I Only 824808 http://hdl.handle.net/2142/25349 en 1984 Joseph Charles Boisvert local excitations alkali-doped insulators impurity doped metals ab initio Hartree-Fock Born-Haber type cycle Local excitons in insulators and impurity doped metals Dissertation / Thesis text Physics Physics University of Illinois at Urbana-Champaign Dissertation Ph.D.