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Role of Lifshitz transition stabilized carbon hexagon structure from biaxial strain: A case of sodium carbide with superconducting condition
Chulalongkorn Univ, Extreme Condit Phys Res Lab, Bangkok 10330, Thailand.;Chulalongkorn Univ, Fac Sci, Ctr Excellence Phys Energy Mat CE PEM, Dept Phys, Bangkok 10330, Thailand..
Huachiew Chalermprakiet Univ, Fac Sci & Technol, Div Phys Sci, Samut Prakan 10540, Thailand..ORCID iD: 0000-0002-9678-7404
Chulalongkorn Univ, Extreme Condit Phys Res Lab, Bangkok 10330, Thailand.;Chulalongkorn Univ, Fac Sci, Ctr Excellence Phys Energy Mat CE PEM, Dept Phys, Bangkok 10330, Thailand.;Chulalongkorn Univ, Met & Mat Sci Res Inst, Soi Chula 12,Phayathai Rd, Bangkok 10330, Thailand..ORCID iD: 0000-0001-6747-1059
Chulalongkorn Univ, Extreme Condit Phys Res Lab, Bangkok 10330, Thailand.;Chulalongkorn Univ, Fac Sci, Ctr Excellence Phys Energy Mat CE PEM, Dept Phys, Bangkok 10330, Thailand..
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2023 (English)In: Ceramics International, ISSN 0272-8842, E-ISSN 1873-3956, Vol. 49, no 12, p. 20088-20095Article in journal (Refereed) Published
Abstract [en]

We theoretically report on an investigation of sodium carbide system by means of first-principles calculations based on density functional theory. Herein, the diverse sodium-carbon structures are predicted by taking carbon-rich compositions of NaC2 with a carbon hexagon structure as a starting point. Metallic phases of NaC2 at a pressure of 100 GPa are predicted to be stabilized by biaxial strain, culminating in the strain -induced electronic topological transitions, also known as the Lifshitz transitions. We found that the flat band accommodates localized electrons around the Fermi level, originating from the effect of biaxial strain, which results in low-velocity electrons forming up to at least 20% of Cooper pairs. According to the respective phonon-mediated superconductivity, NaC2 is dynamically stable not only without the influence of biaxial strain but also with that of the biaxial tensile strain, indicating possible enhancement of the critical temperature superconductor (Tc). Furthermore, the estimated Tc reaches 29.5 K, slightly higher than 24.7 K for the case without biaxial strain. These findings suggest that the possibility of superconductivity is promoted by the applied biaxial tensile strain. Our findings pave the way for future investigation of high superconductivity in carbon-based materials and suggest the possibility of metal-carbides being synthesisable and exhibiting quite a high Tc superconductivity.

Place, publisher, year, edition, pages
Elsevier BV Elsevier, 2023. Vol. 49, no 12, p. 20088-20095
Keywords [en]
Sodium carbide, First-principles calculations, Biaxial strain, Lifshitz transition, Eliashberg theory, Thermodynamic stability, Superconductivity
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-504203DOI: 10.1016/j.ceramint.2023.03.132ISI: 000994060600001OAI: oai:DiVA.org:uu-504203DiVA, id: diva2:1766156
Funder
Swedish Research Council, NRCT5-RSA63001-04Available from: 2023-06-12 Created: 2023-06-12 Last updated: 2024-01-15Bibliographically approved

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