Overall reaction mechanism for a full atomic layer deposition cycle ofW films on TiN surfaces: first-principles study
DC Field | Value | Language |
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dc.contributor.author | Park, Hwanyeol | - |
dc.contributor.author | Lee, Sungwoo | - |
dc.contributor.author | Kim, Ho Jun | - |
dc.contributor.author | Woo, Daekwang | - |
dc.contributor.author | Lee, Jong Myeong | - |
dc.contributor.author | Yoon, Euijoon | - |
dc.contributor.author | Lee, Gun-Do | - |
dc.date.available | 2020-10-20T06:45:18Z | - |
dc.date.created | 2020-06-11 | - |
dc.date.issued | 2018-11 | - |
dc.identifier.issn | 2046-2069 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/gachon/handle/2020.sw.gachon/78622 | - |
dc.description.abstract | We investigated the overall ALD reaction mechanism for W deposition on TiN surfaces based on DFT calculation as well as the detailed dissociative reactions of WF6. Our calculated results suggest that the overall reactions of the WF6 on the B-covered TiN surfaces are energetically much more favorable than the one on the TiN surfaces, which means that the high reactivity of WF6 with the B-covered TiN surface is attributed to the presence of B-covered surface made by B2H6 molecules. As a result, an effect of the B2H6 flow serves as a catalyst to decompose WF6 molecules. Two additional reaction processes right after WF6 bond dissociation, such as W substitution and BF3 desorption, were also explored to clearly understand the detailed reactions that can occur by WF6 flow. At the first additional reaction process, W atoms can be substituted into B site and covered on the TiN surfaces due to the stronger bonding nature of W with the TiN surface than B atoms. At the second additional reaction process, remaining atoms, such as B and F, can be easily desorbed as by-product, that is, BF3 because BF3 desorption is an energetically favorable reaction with a low activation energy. Furthermore, we also investigated the effect of H-2 post-treatment on W-covered TiN surface in order to remove residual F adatoms, which are known to cause severe problems that extremely degrade the characteristics of memory devices. It was found that both H-2 dissociative reaction and HF desorption can occur sufficiently well under somewhat high temperature and H-2 ambience, which is confirmed by our DFT results and previously reported experimental results. These results imply that the understanding of the role of gas molecules used for W deposition gives us insight into improving the W ALD process for future memory devices. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | ROYAL SOC CHEMISTRY | - |
dc.relation.isPartOf | RSC ADVANCES | - |
dc.title | Overall reaction mechanism for a full atomic layer deposition cycle ofW films on TiN surfaces: first-principles study | - |
dc.type | Article | - |
dc.type.rims | ART | - |
dc.description.journalClass | 1 | - |
dc.identifier.wosid | 000451090800041 | - |
dc.identifier.doi | 10.1039/c8ra07354f | - |
dc.identifier.bibliographicCitation | RSC ADVANCES, v.8, no.68, pp.39039 - 39046 | - |
dc.description.isOpenAccess | N | - |
dc.citation.endPage | 39046 | - |
dc.citation.startPage | 39039 | - |
dc.citation.title | RSC ADVANCES | - |
dc.citation.volume | 8 | - |
dc.citation.number | 68 | - |
dc.contributor.affiliatedAuthor | Kim, Ho Jun | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | TUNGSTEN THIN-FILMS | - |
dc.subject.keywordPlus | ALD-W | - |
dc.subject.keywordPlus | PREFERRED ORIENTATION | - |
dc.subject.keywordPlus | LOW-RESISTIVITY | - |
dc.subject.keywordPlus | B2H6 | - |
dc.subject.keywordPlus | ENERGY | - |
dc.subject.keywordPlus | WF6 | - |
dc.subject.keywordPlus | TEMPERATURE | - |
dc.subject.keywordPlus | SUBSTRATE | - |
dc.subject.keywordPlus | PRECURSOR | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
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