{"id":{"repo_id":"umkc","oai_identifier":"oai:mospace.umsystem.edu:10355/89575"},"canonical_url":"https://search.dev.ndltd.org/etd/umkc/oai:mospace.umsystem.edu:10355/89575","repository":{"repo_id":"umkc","name":"University of Missouri - Kansas City","base_url":"https://mospace.umsystem.edu/oai/request"},"display":{"title":"A study of carbon and iron charged point defects in gallium nitride: electronic structure implications for high-power photoconductive solid state switch applications","abstract":"There is growing demand for high-performance electronics in high volt- age, high current, and high frequency efficiency requirements that current materials (e.g., Si) are not fulfilling. Within the last few years, the rate of development of Si power electron- ics has slowed as the MOSFET silicon power asymptotically approached its theoretical limits. Gallium natride (GaN) grown on top of a silicon substrate could displace silicon across a significant portion of the power management market. Doping elements in bulk GaN may influence and enhance its prop- erties. Carbon doping of GaN is potentially efficient and useful material for photo-conductive solid-state switches (PCSSs), also called photo-conductive semiconductor switches. However, to make effective use of the rich capa- bilities of device-scale engineering design tools (e.g., Technology Computer- Aided Design (TCAD)) it is necessary to know a variety of material de- pendent parameters for which experimental results have not been obtained. Therefore, the ability to determine those parameters via ab initio calcula- tions is essential, especially when the material contains some type of defect or dopant. To overcomes this dilemma, we proposed a simulation methodology to ex- tract the needed parameters form atomistic ab initio calculation of bulk (un- doped) GaN, carbon-doped GaN, and iron-doped GaN. The proposed method chain was successfully produced the required parameters including electronic structure, polarization properties, phonon calculation, and mechanical and spectroscopic properties for GaN, C-doped GaN, and Fe-GaN crystals. The parameter values were subsequently used in a TCAD tool to compute trans- port properties and breakdown voltage of GaN, C-doped GaN, and Fe-GaN. Result shows that all material properties such as mechanical, optical, polar- ization, transport properties, and the breakdown transport properties and breakdown voltage changed due to the presence of dopants. The comparison of breakdown voltage models for C-doped and Fe-doped GaN channel layers revealed that Fe-doped GaN has a greater breakdown voltage. To produce a more accurate simulation of GaN HEMT, it is necessary to take into account the parameters of a genuine model with their actual values rather than rely- ing on a generic dopant. Key Words: PCSS, GaN, C-doped GaN, Fe-doped GaN, point defect, electronic structure, polarization properties, Piezoelectric constant, phonon calculation, mechanical and optical properties, transport properties, XANES/ELNES spectrscopy, device Simulation (TCAD), Multiscal Methods, OLCAO, break- down voltage, electron velocity, mobility, scattering rate.","abstract_html":"There is growing demand for high-performance electronics in high volt- age, high current, and high frequency efficiency requirements that current materials (e.g., Si) are not fulfilling. Within the last few years, the rate of development of Si power electron- ics has slowed as the MOSFET silicon power asymptotically approached its theoretical limits. Gallium natride (GaN) grown on top of a silicon substrate could displace silicon across a significant portion of the power management market. Doping elements in bulk GaN may influence and enhance its prop- erties. Carbon doping of GaN is potentially efficient and useful material for photo-conductive solid-state switches (PCSSs), also called photo-conductive semiconductor switches. However, to make effective use of the rich capa- bilities of device-scale engineering design tools (e.g., Technology Computer- Aided Design (TCAD)) it is necessary to know a variety of material de- pendent parameters for which experimental results have not been obtained. Therefore, the ability to determine those parameters via ab initio calcula- tions is essential, especially when the material contains some type of defect or dopant. To overcomes this dilemma, we proposed a simulation methodology to ex- tract the needed parameters form atomistic ab initio calculation of bulk (un- doped) GaN, carbon-doped GaN, and iron-doped GaN. The proposed method chain was successfully produced the required parameters including electronic structure, polarization properties, phonon calculation, and mechanical and spectroscopic properties for GaN, C-doped GaN, and Fe-GaN crystals. The parameter values were subsequently used in a TCAD tool to compute trans- port properties and breakdown voltage of GaN, C-doped GaN, and Fe-GaN. Result shows that all material properties such as mechanical, optical, polar- ization, transport properties, and the breakdown transport properties and breakdown voltage changed due to the presence of dopants. The comparison of breakdown voltage models for C-doped and Fe-doped GaN channel layers revealed that Fe-doped GaN has a greater breakdown voltage. To produce a more accurate simulation of GaN HEMT, it is necessary to take into account the parameters of a genuine model with their actual values rather than rely- ing on a generic dopant. Key Words: PCSS, GaN, C-doped GaN, Fe-doped GaN, point defect, electronic structure, polarization properties, Piezoelectric constant, phonon calculation, mechanical and optical properties, transport properties, XANES/ELNES spectrscopy, device Simulation (TCAD), Multiscal Methods, OLCAO, break- down voltage, electron velocity, mobility, scattering rate.","abstract_has_math":false,"creators":["Ghazwani, Mofareh Ahmed"],"institution":"University of Missouri--Kansas City","degree_name":"Ph.D. (Doctor of Philosophy)","degree_level":"Doctoral","degree_discipline":"Physics (UMKC)","degree_department":null,"school":null,"contributors":[],"advisors":["Rulis, Paul Michael, 1976-"],"committee_chairs":[],"committee_members":[],"year":2021,"date_issued":"2021","date_published":"2021","updated_at":"2026-07-24T05:18:49Z","subjects":[],"languages":[],"rights":[],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"https://hdl.handle.net/10355/89575","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.advisor","label":"Advisor","values":["Rulis, Paul Michael, 1976-"]},{"key":"dc:creator","label":"Author","values":["Ghazwani, Mofareh Ahmed"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2022-03-21T13:07:39Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2022-03-21T13:07:39Z"]},{"key":"dc:date.issued","label":"Date","values":["2021"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Physics (UMKC)","Mathematics (UMKC)"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Doctoral"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D. (Doctor of Philosophy)"]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Missouri--Kansas City"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.uri","label":"Identifier URI","values":["https://hdl.handle.net/10355/89575"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Title from PDF of title page viewed March 28, 2022","Dissertation advisor: Paul Rulis","Vita","Includes bibliographical references (pages 121-153)","Thesis (Ph.D)--Department of Physics and Astronomy, Department of Mathematics and Statistics. University of Missouri--Kansas City, 2021"]},{"key":"dc:description.abstract","label":"Abstract","values":["There is growing demand for high-performance electronics in high volt- age, high current, and high frequency efficiency requirements that current materials (e.g., Si) are not fulfilling. Within the last few years, the rate of development of Si power electron- ics has slowed as the MOSFET silicon power asymptotically approached its theoretical limits. Gallium natride (GaN) grown on top of a silicon substrate could displace silicon across a significant portion of the power management market. Doping elements in bulk GaN may influence and enhance its prop- erties. Carbon doping of GaN is potentially efficient and useful material for photo-conductive solid-state switches (PCSSs), also called photo-conductive semiconductor switches. However, to make effective use of the rich capa- bilities of device-scale engineering design tools (e.g., Technology Computer- Aided Design (TCAD)) it is necessary to know a variety of material de- pendent parameters for which experimental results have not been obtained. Therefore, the ability to determine those parameters via ab initio calcula- tions is essential, especially when the material contains some type of defect or dopant. To overcomes this dilemma, we proposed a simulation methodology to ex- tract the needed parameters form atomistic ab initio calculation of bulk (un- doped) GaN, carbon-doped GaN, and iron-doped GaN. The proposed method chain was successfully produced the required parameters including electronic structure, polarization properties, phonon calculation, and mechanical and spectroscopic properties for GaN, C-doped GaN, and Fe-GaN crystals. The parameter values were subsequently used in a TCAD tool to compute trans- port properties and breakdown voltage of GaN, C-doped GaN, and Fe-GaN. Result shows that all material properties such as mechanical, optical, polar- ization, transport properties, and the breakdown transport properties and breakdown voltage changed due to the presence of dopants. The comparison of breakdown voltage models for C-doped and Fe-doped GaN channel layers revealed that Fe-doped GaN has a greater breakdown voltage. To produce a more accurate simulation of GaN HEMT, it is necessary to take into account the parameters of a genuine model with their actual values rather than rely- ing on a generic dopant. Key Words: PCSS, GaN, C-doped GaN, Fe-doped GaN, point defect, electronic structure, polarization properties, Piezoelectric constant, phonon calculation, mechanical and optical properties, transport properties, XANES/ELNES spectrscopy, device Simulation (TCAD), Multiscal Methods, OLCAO, break- down voltage, electron velocity, mobility, scattering rate."]},{"key":"dc:title","label":"Title","values":["A study of carbon and iron charged point defects in gallium nitride: electronic structure implications for high-power photoconductive solid state switch applications"]}]}],"canonical_facts":{"dc:contributor.advisor":["Rulis, Paul Michael, 1976-"],"dc:creator":["Ghazwani, Mofareh Ahmed"],"dc:date.accessioned":["2022-03-21T13:07:39Z"],"dc:date.available":["2022-03-21T13:07:39Z"],"dc:date.issued":["2021"],"dc:description":["Title from PDF of title page viewed March 28, 2022","Dissertation advisor: Paul Rulis","Vita","Includes bibliographical references (pages 121-153)","Thesis (Ph.D)--Department of Physics and Astronomy, Department of Mathematics and Statistics. University of Missouri--Kansas City, 2021"],"dc:description.abstract":["There is growing demand for high-performance electronics in high volt- age, high current, and high frequency efficiency requirements that current materials (e.g., Si) are not fulfilling. Within the last few years, the rate of development of Si power electron- ics has slowed as the MOSFET silicon power asymptotically approached its theoretical limits. Gallium natride (GaN) grown on top of a silicon substrate could displace silicon across a significant portion of the power management market. Doping elements in bulk GaN may influence and enhance its prop- erties. Carbon doping of GaN is potentially efficient and useful material for photo-conductive solid-state switches (PCSSs), also called photo-conductive semiconductor switches. However, to make effective use of the rich capa- bilities of device-scale engineering design tools (e.g., Technology Computer- Aided Design (TCAD)) it is necessary to know a variety of material de- pendent parameters for which experimental results have not been obtained. Therefore, the ability to determine those parameters via ab initio calcula- tions is essential, especially when the material contains some type of defect or dopant. To overcomes this dilemma, we proposed a simulation methodology to ex- tract the needed parameters form atomistic ab initio calculation of bulk (un- doped) GaN, carbon-doped GaN, and iron-doped GaN. The proposed method chain was successfully produced the required parameters including electronic structure, polarization properties, phonon calculation, and mechanical and spectroscopic properties for GaN, C-doped GaN, and Fe-GaN crystals. The parameter values were subsequently used in a TCAD tool to compute trans- port properties and breakdown voltage of GaN, C-doped GaN, and Fe-GaN. Result shows that all material properties such as mechanical, optical, polar- ization, transport properties, and the breakdown transport properties and breakdown voltage changed due to the presence of dopants. The comparison of breakdown voltage models for C-doped and Fe-doped GaN channel layers revealed that Fe-doped GaN has a greater breakdown voltage. To produce a more accurate simulation of GaN HEMT, it is necessary to take into account the parameters of a genuine model with their actual values rather than rely- ing on a generic dopant. Key Words: PCSS, GaN, C-doped GaN, Fe-doped GaN, point defect, electronic structure, polarization properties, Piezoelectric constant, phonon calculation, mechanical and optical properties, transport properties, XANES/ELNES spectrscopy, device Simulation (TCAD), Multiscal Methods, OLCAO, break- down voltage, electron velocity, mobility, scattering rate."],"dc:identifier.uri":["https://hdl.handle.net/10355/89575"],"dc:title":["A study of carbon and iron charged point defects in gallium nitride: electronic structure implications for high-power photoconductive solid state switch applications"],"thesis:degree_discipline":["Physics (UMKC)","Mathematics (UMKC)"],"thesis:degree_level":["Doctoral"],"thesis:degree_name":["Ph.D. (Doctor of Philosophy)"],"thesis:institution_name":["University of Missouri--Kansas City"]},"updated_at":"2026-07-24T05:18:49Z"}