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First-principles study of superconductivity in the two- and three-dimensional forms of PbTiSe2: Suppressed charge density wave in 1T-TiSe2
Wang BT(王保田); Liu PF(刘鹏飞); Zheng JJ(郑晶晶); Yin W(殷雯); Wang, BT; Liu, PF; Zheng, JJ; Yin, W; Wang, F
2018
Source PublicationPHYSICAL REVIEW B
ISSN2469-9950
EISSN2469-9969
Volume98Issue:1Pages:14514
SubtypeArticle
AbstractLayered 1T-TiSe2 has attracted much interest for the competition of charge density wave (CDW) and superconductivity in its bulk and even monolayer forms. Here we perform first-principles calculations of the electronic structure, phonon dispersion, and electron-phonon coupling of the Pb-intercalated 1T-TiSe2 in bulk and layered structures. Results show that upon the Pb atom intercalation, the CDW instability in 1T-TiSe2 can be effectively suppressed, accompanied by the removal of the imaginary phonon modes at q(m). The Pb 6p orbitals occupy directly at the Fermi level. Both bulk and layered PbTiSe2 are phonon-mediated superconductors, with estimated superconducting temperature T-c to be similar to 1.6-3.8 K. The main contribution to the electron-phonon coupling is from the vibrations of Pb and Se atoms and the superconductivity is mainly raised by Pb. The superconducting related physical quantities are found tunable by varying Pb content.
DOI10.1103/PhysRevB.98.014514
WOS Keyword2-DIMENSIONAL MATERIALS ; TRANSITION ; TISE2 ; MOS2
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Condensed Matter
WOS IDWOS:000439542600003
ADS Bibcode2018PhRvB..98a4514W
AXRIV CODE1803
Citation statistics
Cited Times:15 [ADS]
Document Type期刊论文
Identifierhttp://ir.ihep.ac.cn/handle/311005/286140
Collection东莞研究部
多学科研究中心
中国科学院高能物理研究所_中国散裂中子源
Corresponding AuthorWang BT(王保田)
Affiliation中国科学院高能物理研究所
First Author AffilicationInstitute of High Energy
Corresponding Author AffilicationInstitute of High Energy
Recommended Citation
GB/T 7714
Wang BT,Liu PF,Zheng JJ,et al. First-principles study of superconductivity in the two- and three-dimensional forms of PbTiSe2: Suppressed charge density wave in 1T-TiSe2[J]. PHYSICAL REVIEW B,2018,98(1):14514.
APA 王保田.,刘鹏飞.,郑晶晶.,殷雯.,Wang, BT.,...&Wang, F.(2018).First-principles study of superconductivity in the two- and three-dimensional forms of PbTiSe2: Suppressed charge density wave in 1T-TiSe2.PHYSICAL REVIEW B,98(1),14514.
MLA 王保田,et al."First-principles study of superconductivity in the two- and three-dimensional forms of PbTiSe2: Suppressed charge density wave in 1T-TiSe2".PHYSICAL REVIEW B 98.1(2018):14514.
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