{"doi":"10.1063/1.5111414","title":"First-principles study of bandgap bowing in BGaN alloys","abstract":"<jats:p>III-nitride alloys continue to drive advances in electronic and optoelectronic devices. Recently, boron-containing nitride alloys have been explored with the goal of expanding the range of applications. Using first-principles calculations with a hybrid functional, we study the electronic structure of wurtzite BGaN alloys. Strong bandgap bowing is observed, with a concentration-dependent bowing parameter. Due to the strong bandgap bowing, the fundamental bandgap in strain-free alloys is effectively unchanged for the lowest B concentrations. A crossover from a direct to an indirect bandgap occurs for B concentrations greater than 50%.</jats:p>","journal":"Journal of Applied Physics","year":2019,"id":38740,"datarank":1.2691635969672896,"base_score":3.295836866004329,"endowment":3.295836866004329,"self_citation_contribution":0.4943755299006494,"citation_network_contribution":0.7747880670666402,"self_endowment_contribution":0.4943755299006494,"citer_contribution":0.7747880670666402,"corpus_percentile":null,"corpus_rank":null,"citation_count":26,"citer_count":25,"citers_with_citation_signal":21,"citers_with_endowment":21,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":154722,"name":"Jimmy-Xuan Shen","orcid":"0000-0002-2743-7531","position":1,"is_corresponding":false},{"id":191702,"name":"Darshana Wickramaratne","orcid":null,"position":2,"is_corresponding":false},{"id":154723,"name":"Chris G. Van de Walle","orcid":"0000-0002-4212-5990","position":3,"is_corresponding":false},{"id":191701,"name":"Mark E. Turiansky","orcid":"0000-0002-9154-3582","position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"base_score":3.295836866004329,"endowment":3.295836866004329,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"18998881","pmcid":null,"openalex_id":"https://openalex.org/W2971787059","authors":[],"funders":[{"funder_name":"National Science Foundation","grant_id":"DMR-1720256","title":null},{"funder_name":"National Science Foundation","grant_id":"ACI-1548562","title":null},{"funder_name":"U.S. Department of Energy","grant_id":"DE-SC0010689","title":null},{"funder_name":"National Science Foundation","grant_id":"1720256","title":"Materials Research Science and Engineering Center at UCSB"}],"total_grants":4,"fwci":2.6456,"citation_percentile":0.90168524,"influential_citations":2,"citation_trend":[{"year":2020,"count":5},{"year":2021,"count":5},{"year":2022,"count":5},{"year":2023,"count":4},{"year":2024,"count":4},{"year":2025,"count":1},{"year":2026,"count":2}],"oa_status":"green","license":"https://publishing.aip.org/authors/rights-and-permissions","oa_locations":[{"url":"https://www.osti.gov/servlets/purl/1611497","host_type":"repository"},{"url":"https://www.osti.gov/biblio/1611497","host_type":"GREEN"},{"url":"https://www.osti.gov/servlets/purl/1611497","host_type":"repository"},{"url":"http://aip.scitation.org/doi/am-pdf/10.1063/1.5111414","host_type":"publisher"},{"url":"https://pubs.aip.org/aip/jap/article-pdf/doi/10.1063/1.5111414/15233725/095706_1_online.pdf","host_type":"publisher"},{"url":"https://www.osti.gov/biblio/1560705","host_type":"repository"},{"url":"https://doi.org/10.1063/1.5111414","host_type":"journal"},{"url":"https://dx.doi.org/10.1063/1.5111414","host_type":""}],"fields_of_study":["GaN-based semiconductor devices and materials","Metal and Thin Film Mechanics","Semiconductor materials and devices","Materials Science","Physics","02 engineering and technology","0210 nano-technology"],"mesh_terms":[],"keywords":["Bowing","Band gap","Wurtzite crystal structure","Wide-bandgap semiconductor","Materials science","Nitride","Optoelectronics","Direct and indirect band gaps","Condensed matter physics","Nanotechnology","Zinc","Metallurgy","Physics"],"sdg_mappings":[],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-06-11T05:42:36.129933Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}