Topological nodal line and superconductivity of highly thermally stable two-dimensional TiB4

doi:10.1103/PhysRevB.104.195123

IMR OpenIR

	Topological nodal line and superconductivity of highly thermally stable two-dimensional TiB4
	Wang, Lei 1,2; Liu, Mingfeng 1,2; Li, Jiangxu 1,2; Li, Ronghan 1; Ma, Hui 1; Chen, Xing-Qiu 1,2
通讯作者	Chen, Xing-Qiu(xingqiu.chen@imr.ac.cn)
	2021-11-12
发表期刊	PHYSICAL REVIEW B
ISSN	2469-9950
卷号	104 期号:19 页码:9
摘要	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.
资助者	National Science Fund for Dis-tinguished Young Scholars ; National Natural Science Foundation of China
DOI	10.1103/PhysRevB.104.195123
收录类别	SCI
语种	英语
资助项目	National Science Fund for Dis-tinguished Young Scholars[51725103] ; National Natural Science Foundation of China[51671193] ; National Natural Science Foundation of China[52001308]
WOS研究方向	Materials Science ; Physics
WOS类目	Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
WOS记录号	WOS:000719797000001
出版者	AMER PHYSICAL SOC
引用统计	被引频次：17[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/167381
专题	中国科学院金属研究所
通讯作者	Chen, Xing-Qiu
作者单位	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
推荐引用方式 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.