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Topological nodal line and superconductivity of highly thermally stable two-dimensional TiB4
Wang, Lei1,2; Liu, Mingfeng1,2; Li, Jiangxu1,2; Li, Ronghan1; Ma, Hui1; Chen, Xing-Qiu1,2
Corresponding AuthorChen, Xing-Qiu(xingqiu.chen@imr.ac.cn)
2021-11-12
Source PublicationPHYSICAL REVIEW B
ISSN2469-9950
Volume104Issue:19Pages:9
AbstractBy means of first-principles calculations, we study the electronic structures, lattice dynamics, electron-phonon coupling (EPC), and superconductivity of TiB4 monolayer (TBML) and TiB4 bilayer (TBBL). We find that both TBML and TBBL are nodal line semimetals, and the occurrences of their nodal lines are mainly due to the band inversions between B-p(x) + p(y) and B-p(z) for TBML and between Ti-d(xz) + d(yz) and Ti-d(z2) for TBBL. The distortion of Ti atoms in the TBBL induces a horizontal glide mirror plane, which protects its nodal line against the spin-orbit coupling. The computed EPC constant lambda of TBML is 0.65, higher than that of the TBBL with lambda = 0.35. Both TBML and TBBL are identified to be phonon-mediated two-dimensional (2D) superconductors with the calculated T-c = 1.66 K and 0.82 K, respectively. The T-c of the TBBL can be further enhanced to 6.43 K by applying a tensile strain of 11%. Moreover, they exhibit excellent thermal stability. The coexistence of the topological nodal-line states around the Fermi level and superconductivity in the square-lattice TiB4 monolayer may show more potential for realization of exotic physics.
Funding OrganizationNational Science Fund for Dis-tinguished Young Scholars ; National Natural Science Foundation of China
DOI10.1103/PhysRevB.104.195123
Indexed BySCI
Language英语
Funding ProjectNational Science Fund for Dis-tinguished Young Scholars[51725103] ; National Natural Science Foundation of China[51671193] ; National Natural Science Foundation of China[52001308]
WOS Research AreaMaterials Science ; Physics
WOS SubjectMaterials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS IDWOS:000719797000001
PublisherAMER PHYSICAL SOC
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/167381
Collection中国科学院金属研究所
Corresponding AuthorChen, Xing-Qiu
Affiliation1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Wang, Lei,Liu, Mingfeng,Li, Jiangxu,et al. Topological nodal line and superconductivity of highly thermally stable two-dimensional TiB4[J]. PHYSICAL REVIEW B,2021,104(19):9.
APA Wang, Lei,Liu, Mingfeng,Li, Jiangxu,Li, Ronghan,Ma, Hui,&Chen, Xing-Qiu.(2021).Topological nodal line and superconductivity of highly thermally stable two-dimensional TiB4.PHYSICAL REVIEW B,104(19),9.
MLA Wang, Lei,et al."Topological nodal line and superconductivity of highly thermally stable two-dimensional TiB4".PHYSICAL REVIEW B 104.19(2021):9.
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