| 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 Author | Chen, Xing-Qiu(xingqiu.chen@imr.ac.cn) |
| 2021-11-12 | |
| Source Publication | PHYSICAL REVIEW B
 |
| ISSN | 2469-9950 |
| Volume | 104Issue:19Pages:9 |
| Abstract | By 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 Organization | National Science Fund for Dis-tinguished Young Scholars ; National Natural Science Foundation of China |
| DOI | 10.1103/PhysRevB.104.195123 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Science Fund for Dis-tinguished Young Scholars[51725103] ; National Natural Science Foundation of China[51671193] ; National Natural Science Foundation of China[52001308] |
| WOS Research Area | Materials Science ; Physics |
| WOS Subject | Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter |
| WOS ID | WOS:000719797000001 |
| Publisher | AMER PHYSICAL SOC |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/167381 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Chen, Xing-Qiu |
| Affiliation | 1.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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