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Article: Doping induced charge density wave in monolayer TiS2 and phonon-mediated superconductivity

TitleDoping induced charge density wave in monolayer TiS2 and phonon-mediated superconductivity
Authors
KeywordsCalculations
Charge density
Charge density waves
Crystal symmetry
Doping (additives)
Issue Date2020
PublisherAIP Publishing LLC. The Journal's web site is located at http://jap.aip.org/jap/staff.jsp
Citation
Journal of Applied Physics, 2020, v. 127, p. article no. 044301 How to Cite?
AbstractUsing the first-principles calculations, we have investigated the effects of the charge doping and biaxial strain on the charge density wave (CDW) of monolayer octahedral titanium disulfide (1T-TiS2). Our results show that proper electron doping can suppress the (2×2) CDW instability and the larger electron doping promotes a (7–√×3–√) CDW phase involving a spontaneous breaking of the hexagonal crystal symmetry. Strain can affect the stability of doped monolayer 1T-TiS2, but neither compressive strain nor tensile strain alone can stabilize the pristine one. When TiS2 layers are decorated by metal atoms, such as Li, Na, K, Ca, and Al, the transferred charge can also suppress the (2×2) CDW instability. The stable doped 1T-TiS2 is predicted to exhibit good phonon-mediated superconductivity, which can be further enhanced by strain. Our results reveal a unique CDW phenomenon in the electron-doped monolayer 1T-TiS2 and that doping combined strain is efficient to modulate phonon softening, electron-phonon coupling, and superconductivity.
Persistent Identifierhttp://hdl.handle.net/10722/283383
ISSN
2023 Impact Factor: 2.7
2023 SCImago Journal Rankings: 0.649
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorLiao, JH-
dc.contributor.authorZhao, YC-
dc.contributor.authorZhao, YJ-
dc.contributor.authorYang, XB-
dc.contributor.authorChen, Y-
dc.date.accessioned2020-06-22T02:55:45Z-
dc.date.available2020-06-22T02:55:45Z-
dc.date.issued2020-
dc.identifier.citationJournal of Applied Physics, 2020, v. 127, p. article no. 044301-
dc.identifier.issn0021-8979-
dc.identifier.urihttp://hdl.handle.net/10722/283383-
dc.description.abstractUsing the first-principles calculations, we have investigated the effects of the charge doping and biaxial strain on the charge density wave (CDW) of monolayer octahedral titanium disulfide (1T-TiS2). Our results show that proper electron doping can suppress the (2×2) CDW instability and the larger electron doping promotes a (7–√×3–√) CDW phase involving a spontaneous breaking of the hexagonal crystal symmetry. Strain can affect the stability of doped monolayer 1T-TiS2, but neither compressive strain nor tensile strain alone can stabilize the pristine one. When TiS2 layers are decorated by metal atoms, such as Li, Na, K, Ca, and Al, the transferred charge can also suppress the (2×2) CDW instability. The stable doped 1T-TiS2 is predicted to exhibit good phonon-mediated superconductivity, which can be further enhanced by strain. Our results reveal a unique CDW phenomenon in the electron-doped monolayer 1T-TiS2 and that doping combined strain is efficient to modulate phonon softening, electron-phonon coupling, and superconductivity.-
dc.languageeng-
dc.publisherAIP Publishing LLC. The Journal's web site is located at http://jap.aip.org/jap/staff.jsp-
dc.relation.ispartofJournal of Applied Physics-
dc.rightsThis article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in [Journal of Applied Physics, 2020, v. 127, p. article no. 044301] and may be found at [http://dx.doi.org/10.1063/1.5135615].-
dc.subjectCalculations-
dc.subjectCharge density-
dc.subjectCharge density waves-
dc.subjectCrystal symmetry-
dc.subjectDoping (additives)-
dc.titleDoping induced charge density wave in monolayer TiS2 and phonon-mediated superconductivity-
dc.typeArticle-
dc.identifier.emailChen, Y: yuechen@hku.hk-
dc.identifier.authorityChen, Y=rp01925-
dc.description.naturepublished_or_final_version-
dc.identifier.doi10.1063/1.5135615-
dc.identifier.scopuseid_2-s2.0-85078666178-
dc.identifier.hkuros310521-
dc.identifier.volume127-
dc.identifier.spagearticle no. 044301-
dc.identifier.epagearticle no. 044301-
dc.identifier.isiWOS:000515698500013-
dc.publisher.placeUnited States-
dc.identifier.issnl0021-8979-

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