{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/19667"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/19667","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"First principles Monte Carlo simulation of charge transport in semiconductors","abstract":"A new multiscale method is presented for modeling charge transport across a semi-conductor heterointerface. It has the advantage of increase predictive power due to its treatment of the detailed mixing between Bloch and Tamm electronic states in the interface region; this is of critical importance when a transmission or reflection is accompanied by large changes in perpendicular wavevector, and in the presence of multiple transmission and reflection channels. The electron-phonon interaction is then examined in bulk silicon within the local density functional formalism. Intravalley and intervalley deformation potentials are calculated for a variety of transitions, and the model is compared with available data from both experimental and alternative calculation methods. The formalism developed in this thesis for the calculation of electron-phonon interaction strength is then applied to the calculation of matrix elements for an exhaustive set of transitions throughout the entire Brillouin zone and over a wide range of energies, taking into account the details of each phonon mode. These matrix elements are then incorporated into a unique Monte Carlo charge transport simulator with which transport statistics are calculated. Finally, a new method is presented for the calculation of spectral functions in crystalline solids.","abstract_html":"A new multiscale method is presented for modeling charge transport across a semi-conductor heterointerface. It has the advantage of increase predictive power due to its treatment of the detailed mixing between Bloch and Tamm electronic states in the interface region; this is of critical importance when a transmission or reflection is accompanied by large changes in perpendicular wavevector, and in the presence of multiple transmission and reflection channels. The electron-phonon interaction is then examined in bulk silicon within the local density functional formalism. Intravalley and intervalley deformation potentials are calculated for a variety of transitions, and the model is compared with available data from both experimental and alternative calculation methods. The formalism developed in this thesis for the calculation of electron-phonon interaction strength is then applied to the calculation of matrix elements for an exhaustive set of transitions throughout the entire Brillouin zone and over a wide range of energies, taking into account the details of each phonon mode. These matrix elements are then incorporated into a unique Monte Carlo charge transport simulator with which transport statistics are calculated. Finally, a new method is presented for the calculation of spectral functions in crystalline solids.","abstract_has_math":false,"creators":["Yoder, Paul Douglas"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":"Electrical Engineering","degree_department":null,"school":null,"contributors":["Hess, Karl"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2011,"date_issued":"2011-05-07T12:14:41Z","date_published":"2011-05-07T12:14:41Z","updated_at":"2026-07-22T22:25:14Z","subjects":["Engineering, Electronics and Electrical"],"languages":["eng"],"rights":["Copyright 1994 Yoder, Paul Douglas"],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["AAI9416455","(UMI)AAI9416455"],"render_values":[{"text":"AAI9416455","href":null,"code":true},{"text":"(UMI)AAI9416455","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/2142/19667","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Hess, Karl"]},{"key":"dc:creator","label":"Author","values":["Yoder, Paul Douglas"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2011-05-07T12:14:41Z","10000-01-01","1994"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Electrical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Dissertation"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Engineering, Electronics and Electrical"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["eng"]},{"key":"dc:rights","label":"Dc Rights","values":["Copyright 1994 Yoder, Paul Douglas"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["AAI9416455","(UMI)AAI9416455","http://hdl.handle.net/2142/19667"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["A new multiscale method is presented for modeling charge transport across a semi-conductor heterointerface. It has the advantage of increase predictive power due to its treatment of the detailed mixing between Bloch and Tamm electronic states in the interface region; this is of critical importance when a transmission or reflection is accompanied by large changes in perpendicular wavevector, and in the presence of multiple transmission and reflection channels. The electron-phonon interaction is then examined in bulk silicon within the local density functional formalism. Intravalley and intervalley deformation potentials are calculated for a variety of transitions, and the model is compared with available data from both experimental and alternative calculation methods. The formalism developed in this thesis for the calculation of electron-phonon interaction strength is then applied to the calculation of matrix elements for an exhaustive set of transitions throughout the entire Brillouin zone and over a wide range of energies, taking into account the details of each phonon mode. These matrix elements are then incorporated into a unique Monte Carlo charge transport simulator with which transport statistics are calculated. Finally, a new method is presented for the calculation of spectral functions in crystalline solids.","Made available in DSpace on 2011-05-07T12:14:41Z (GMT). No. of bitstreams: 2 license.txt: 4922 bytes, checksum: 910b249b4beec47e7ab768910c8f966f (MD5) 9416455.pdf: 3075598 bytes, checksum: 582a682d003b061104347920b1e3f2ce (MD5) Previous issue date: 1994","Item marked as restricted to the 'UIUC Users [automated]' Group (id=2) by Howard Ding (hding2@illinois.edu) on 2011-05-07T14:38:37Z Item is restricted indefinitely.","Restriction data tranferred 2014-07-01T11:16:07-05:00 Original Data Group with Access UIUC Users [automated] Release Date: none Reason: ETDs are only available to UIUC Users without author permission","ETDs are only available to UIUC Users without author permission","U of I Only"]},{"key":"dc:title","label":"Title","values":["First principles Monte Carlo simulation of charge transport in semiconductors"]}]}],"canonical_facts":{"dc:contributor":["Hess, Karl"],"dc:creator":["Yoder, Paul Douglas"],"dc:date":["2011-05-07T12:14:41Z","10000-01-01","1994"],"dc:description":["A new multiscale method is presented for modeling charge transport across a semi-conductor heterointerface. It has the advantage of increase predictive power due to its treatment of the detailed mixing between Bloch and Tamm electronic states in the interface region; this is of critical importance when a transmission or reflection is accompanied by large changes in perpendicular wavevector, and in the presence of multiple transmission and reflection channels. The electron-phonon interaction is then examined in bulk silicon within the local density functional formalism. Intravalley and intervalley deformation potentials are calculated for a variety of transitions, and the model is compared with available data from both experimental and alternative calculation methods. The formalism developed in this thesis for the calculation of electron-phonon interaction strength is then applied to the calculation of matrix elements for an exhaustive set of transitions throughout the entire Brillouin zone and over a wide range of energies, taking into account the details of each phonon mode. These matrix elements are then incorporated into a unique Monte Carlo charge transport simulator with which transport statistics are calculated. Finally, a new method is presented for the calculation of spectral functions in crystalline solids.","Made available in DSpace on 2011-05-07T12:14:41Z (GMT). No. of bitstreams: 2 license.txt: 4922 bytes, checksum: 910b249b4beec47e7ab768910c8f966f (MD5) 9416455.pdf: 3075598 bytes, checksum: 582a682d003b061104347920b1e3f2ce (MD5) Previous issue date: 1994","Item marked as restricted to the 'UIUC Users [automated]' Group (id=2) by Howard Ding (hding2@illinois.edu) on 2011-05-07T14:38:37Z Item is restricted indefinitely.","Restriction data tranferred 2014-07-01T11:16:07-05:00 Original Data Group with Access UIUC Users [automated] Release Date: none Reason: ETDs are only available to UIUC Users without author permission","ETDs are only available to UIUC Users without author permission","U of I Only"],"dc:identifier":["AAI9416455","(UMI)AAI9416455","http://hdl.handle.net/2142/19667"],"dc:language":["eng"],"dc:rights":["Copyright 1994 Yoder, Paul Douglas"],"dc:subject":["Engineering, Electronics and Electrical"],"dc:title":["First principles Monte Carlo simulation of charge transport in semiconductors"],"dc:type":["text"],"thesis:degree_discipline":["Electrical Engineering"],"thesis:degree_level":["Dissertation"],"thesis:degree_name":["Ph.D."],"thesis:institution_name":["University of Illinois at Urbana-Champaign"]},"updated_at":"2026-07-22T22:25:14Z"}