{"title":"氮化钛薄膜中量子阱态的可调功函数和表面能。","authors":"Angus Huang, Yee-Heng Teh, Chin-Hsuan Chen, Sheng-Hsiung Hung, Jer-Fu Wang, Chih-Piao Chuu, Horng-Tay Jeng","doi":"10.1021/acsmaterialsau.4c00176","DOIUrl":null,"url":null,"abstract":"<p><p>High work function metals are crucial in various semiconductor applications. Titanium nitride (TiN) is particularly noteworthy as a high work function material in metal gate structures, which significantly enhances the transistor performance and reliability in advanced semiconductor devices. In this study, we employ first-principles calculations to demonstrate that the TiN work function oscillates with thickness due to the quantum well state effect. Furthermore, we investigate the termination and surface dependence of the work function across different crystallographic orientations. We show that the work function can be enhanced to up to 8.04 eV for TiN(111) with N-termination at five monolayers (5 MLs). Our findings provide valuable insights for fine-tuning the high work function of TiN.</p>","PeriodicalId":29798,"journal":{"name":"ACS Materials Au","volume":"5 2","pages":"430-437"},"PeriodicalIF":5.7000,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11907290/pdf/","citationCount":"0","resultStr":"{\"title\":\"Tunable Work Function and Surface Energy in Titanium Nitride (TiN) Thin Films through Quantum Well States.\",\"authors\":\"Angus Huang, Yee-Heng Teh, Chin-Hsuan Chen, Sheng-Hsiung Hung, Jer-Fu Wang, Chih-Piao Chuu, Horng-Tay Jeng\",\"doi\":\"10.1021/acsmaterialsau.4c00176\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>High work function metals are crucial in various semiconductor applications. Titanium nitride (TiN) is particularly noteworthy as a high work function material in metal gate structures, which significantly enhances the transistor performance and reliability in advanced semiconductor devices. In this study, we employ first-principles calculations to demonstrate that the TiN work function oscillates with thickness due to the quantum well state effect. Furthermore, we investigate the termination and surface dependence of the work function across different crystallographic orientations. We show that the work function can be enhanced to up to 8.04 eV for TiN(111) with N-termination at five monolayers (5 MLs). Our findings provide valuable insights for fine-tuning the high work function of TiN.</p>\",\"PeriodicalId\":29798,\"journal\":{\"name\":\"ACS Materials Au\",\"volume\":\"5 2\",\"pages\":\"430-437\"},\"PeriodicalIF\":5.7000,\"publicationDate\":\"2025-01-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11907290/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Materials Au\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1021/acsmaterialsau.4c00176\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/3/12 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Materials Au","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1021/acsmaterialsau.4c00176","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/3/12 0:00:00","PubModel":"eCollection","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Tunable Work Function and Surface Energy in Titanium Nitride (TiN) Thin Films through Quantum Well States.
High work function metals are crucial in various semiconductor applications. Titanium nitride (TiN) is particularly noteworthy as a high work function material in metal gate structures, which significantly enhances the transistor performance and reliability in advanced semiconductor devices. In this study, we employ first-principles calculations to demonstrate that the TiN work function oscillates with thickness due to the quantum well state effect. Furthermore, we investigate the termination and surface dependence of the work function across different crystallographic orientations. We show that the work function can be enhanced to up to 8.04 eV for TiN(111) with N-termination at five monolayers (5 MLs). Our findings provide valuable insights for fine-tuning the high work function of TiN.
期刊介绍：
ACS Materials Au is an open access journal publishing letters articles reviews and perspectives describing high-quality research at the forefront of fundamental and applied research and at the interface between materials and other disciplines such as chemistry engineering and biology. Papers that showcase multidisciplinary and innovative materials research addressing global challenges are especially welcome. Areas of interest include but are not limited to:Design synthesis characterization and evaluation of forefront and emerging materialsUnderstanding structure property performance relationships and their underlying mechanismsDevelopment of materials for energy environmental biomedical electronic and catalytic applications
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