{"id":{"repo_id":"umkc","oai_identifier":"oai:mospace.umsystem.edu:10355/9345"},"canonical_url":"https://search.dev.ndltd.org/etd/umkc/oai:mospace.umsystem.edu:10355/9345","repository":{"repo_id":"umkc","name":"University of Missouri - Kansas City","base_url":"https://mospace.umsystem.edu/oai/request"},"display":{"title":"Electronic Stucture of Elemental Boron","abstract":"Boron has complex structures in its crystalline forms that lead to a variety of properties. The primary phases of elemental boron are α-B12, t-B50, γ-B28, and β-B106 and are the focus of this thesis. As a preliminary step to elucidate the properties of these phases, ab initio calculations have been performed to obtain the electronic structure and optical properties of the system from a fundamental quantum mechanical point of view. Also calculated are the Xray Absorption Near Edge Structure (XANES) spectra which can provide information about the relationship between atomic structure and electronic structure. The calculated XANES spectra of α-B12 agrees with experimental data in terms of peak position and peak height. Based on the success of the α-B12 calculation, XANES spectra of t-B50, γ-B28, and β-B106 are predicted. In addition, these XANES spectra are grouped according to the similar geometrical features that are present in their atomic structures and analyzed.","abstract_html":"Boron has complex structures in its crystalline forms that lead to a variety of properties. The primary phases of elemental boron are α-B12, t-B50, γ-B28, and β-B106 and are the focus of this thesis. As a preliminary step to elucidate the properties of these phases, ab initio calculations have been performed to obtain the electronic structure and optical properties of the system from a fundamental quantum mechanical point of view. Also calculated are the Xray Absorption Near Edge Structure (XANES) spectra which can provide information about the relationship between atomic structure and electronic structure. The calculated XANES spectra of α-B12 agrees with experimental data in terms of peak position and peak height. Based on the success of the α-B12 calculation, XANES spectra of t-B50, γ-B28, and β-B106 are predicted. In addition, these XANES spectra are grouped according to the similar geometrical features that are present in their atomic structures and analyzed.","abstract_has_math":false,"creators":["Wang, Liaoyuan"],"institution":"University of Missouri--Kansas City","degree_name":"M.S.","degree_level":"Masters","degree_discipline":"Physics (UMKC)","degree_department":null,"school":null,"contributors":[],"advisors":["Ching, Wai-Yim"],"committee_chairs":[],"committee_members":[],"year":2010,"date_issued":"2010-12-15","date_published":"2010-12-15","updated_at":"2026-07-24T05:19:40Z","subjects":["Density Functional Theory (DFT), Density of States (DOS), Elemental Boron, Orthoganalized Linear Combination of Atomic Orbitals (OLCAO), X-ray Absorption Near Edge Structure (XANES)"],"languages":["en_US"],"rights":[],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/10355/9345","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.advisor","label":"Advisor","values":["Ching, Wai-Yim"]},{"key":"dc:creator","label":"Author","values":["Wang, Liaoyuan"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2010-12-15T21:08:29Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2010-12-15T21:08:29Z"]},{"key":"dc:date.issued","label":"Date","values":["2010-12-15","2010"]},{"key":"dc:publisher","label":"Institution","values":["University of Missouri--Kansas City"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Physics (UMKC)"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Masters"]},{"key":"thesis:degree_name","label":"Degree Name","values":["M.S."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Missouri--Kansas City"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Density Functional Theory (DFT), Density of States (DOS), Elemental Boron, Orthoganalized Linear Combination of Atomic Orbitals (OLCAO), X-ray Absorption Near Edge Structure (XANES)"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language.iso","label":"Language (ISO)","values":["en_US"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.uri","label":"Identifier URI","values":["http://hdl.handle.net/10355/9345"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Title from PDF of title page, viewed on December 15, 2010.","Thesis advisor: Wai-Yim Ching","Vita.","Includes bibliographic references (pages 46-50).","Thesis (M.S.)--Dept. of Physics. University of Missouri--Kansas City, 2010."]},{"key":"dc:description.abstract","label":"Abstract","values":["Boron has complex structures in its crystalline forms that lead to a variety of properties. The primary phases of elemental boron are α-B12, t-B50, γ-B28, and β-B106 and are the focus of this thesis. As a preliminary step to elucidate the properties of these phases, ab initio calculations have been performed to obtain the electronic structure and optical properties of the system from a fundamental quantum mechanical point of view. Also calculated are the Xray Absorption Near Edge Structure (XANES) spectra which can provide information about the relationship between atomic structure and electronic structure. The calculated XANES spectra of α-B12 agrees with experimental data in terms of peak position and peak height. Based on the success of the α-B12 calculation, XANES spectra of t-B50, γ-B28, and β-B106 are predicted. In addition, these XANES spectra are grouped according to the similar geometrical features that are present in their atomic structures and analyzed."]},{"key":"dc:title","label":"Title","values":["Electronic Stucture of Elemental Boron"]}]}],"canonical_facts":{"dc:contributor.advisor":["Ching, Wai-Yim"],"dc:creator":["Wang, Liaoyuan"],"dc:date.accessioned":["2010-12-15T21:08:29Z"],"dc:date.available":["2010-12-15T21:08:29Z"],"dc:date.issued":["2010-12-15","2010"],"dc:description":["Title from PDF of title page, viewed on December 15, 2010.","Thesis advisor: Wai-Yim Ching","Vita.","Includes bibliographic references (pages 46-50).","Thesis (M.S.)--Dept. of Physics. University of Missouri--Kansas City, 2010."],"dc:description.abstract":["Boron has complex structures in its crystalline forms that lead to a variety of properties. The primary phases of elemental boron are α-B12, t-B50, γ-B28, and β-B106 and are the focus of this thesis. As a preliminary step to elucidate the properties of these phases, ab initio calculations have been performed to obtain the electronic structure and optical properties of the system from a fundamental quantum mechanical point of view. Also calculated are the Xray Absorption Near Edge Structure (XANES) spectra which can provide information about the relationship between atomic structure and electronic structure. The calculated XANES spectra of α-B12 agrees with experimental data in terms of peak position and peak height. Based on the success of the α-B12 calculation, XANES spectra of t-B50, γ-B28, and β-B106 are predicted. In addition, these XANES spectra are grouped according to the similar geometrical features that are present in their atomic structures and analyzed."],"dc:identifier.uri":["http://hdl.handle.net/10355/9345"],"dc:language.iso":["en_US"],"dc:publisher":["University of Missouri--Kansas City"],"dc:subject":["Density Functional Theory (DFT), Density of States (DOS), Elemental Boron, Orthoganalized Linear Combination of Atomic Orbitals (OLCAO), X-ray Absorption Near Edge Structure (XANES)"],"dc:title":["Electronic Stucture of Elemental Boron"],"dc:type":["Thesis"],"thesis:degree_discipline":["Physics (UMKC)"],"thesis:degree_level":["Masters"],"thesis:degree_name":["M.S."],"thesis:institution_name":["University of Missouri--Kansas City"]},"updated_at":"2026-07-24T05:19:40Z"}