DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim S. | - |
dc.contributor.author | Kim K. | - |
dc.contributor.author | Koo J. | - |
dc.contributor.author | Lee H. | - |
dc.contributor.author | Min B. I. | - |
dc.contributor.author | Kim D.Y. | - |
dc.date.accessioned | 2020-02-25T07:50:32Z | - |
dc.date.available | 2020-02-25T07:50:32Z | - |
dc.date.created | 2020-01-21 | - |
dc.date.issued | 2019-12 | - |
dc.identifier.issn | 2045-2322 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/101085 | - |
dc.description.abstract | Crystal structure prediction and in silico physical property observations guide experimental synthesis in high-pressure research. Here, we used magnesium carbides as a representative example of computational high-pressure studies. We predicted various compositions of Mg-C compounds up to 150 GPa and successfully reproduced previous experimental results. Interestingly, our proposed MgC2 at high pressure >7 GPa consists of extended carbon bonds, one-dimensional graphene layers, and Mg atomic layers, which provides a good platform to study superconductivity of metal intercalated graphene nano-ribbons. We found that this new phase of MgC2 could be recovered to ambient pressure and exhibited a strong electron-phonon coupling (EPC) strength of 0.6 whose corresponding superconductivity transition temperature reached 15 K. The EPC originated from the cooperation of the out-of-plane and the in-plane phonon modes. The geometry confinement and the hybridization between the Mg s and C p(z) orbitals significantly affect the coupling of phonon modes and electrons. These results show the importance of the high-pressure route to the synthesis of novel functional materials, which can promote the search for new phases of carbon-based superconductors. | - |
dc.language | English | - |
dc.publisher | NATURE PUBLISHING GROUP | - |
dc.relation.isPartOf | SCIENTIFIC REPORTS | - |
dc.title | Pressure-induced phase transitions and superconductivity in magnesium carbides | - |
dc.type | Article | - |
dc.identifier.doi | 10.1038/s41598-019-56497-6 | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | SCIENTIFIC REPORTS, v.9 | - |
dc.identifier.wosid | 000509351600015 | - |
dc.citation.title | SCIENTIFIC REPORTS | - |
dc.citation.volume | 9 | - |
dc.contributor.affiliatedAuthor | Kim K. | - |
dc.contributor.affiliatedAuthor | Min B. I. | - |
dc.contributor.affiliatedAuthor | Kim D.Y. | - |
dc.identifier.scopusid | 2-s2.0-85077302878 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | Y | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | CRYSTAL-STRUCTURE | - |
dc.subject.keywordPlus | MGB2 | - |
dc.relation.journalWebOfScienceCategory | Multidisciplinary Sciences | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
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