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  Origin of First-Order-Type Electronic and Structural Transitions in IrTe2

Kim, K., Kim, S., Ko, K.-T., Lee, H., Park, J.-H., Yang, J. J., et al. (2015). Origin of First-Order-Type Electronic and Structural Transitions in IrTe2. Physical Review Letters, 114(13): 136401, pp. 1-5. doi:10.1103/PhysRevLett.114.136401.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0026-BF87-9 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0026-BF88-7
Genre: Journal Article

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 Creators:
Kim, Kyoo1, Author
Kim, Sooran1, Author
Ko, K.-T.2, Author              
Lee, Hwangho1, Author
Park, J.-H.1, Author
Yang, J. J.1, Author
Cheong, S.-W.1, Author
Min, B. I.1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Kyung-Tae Ko, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863451              

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 Abstract: We have explored the origin of unusual first-order-type electronic and structural transitions in IrTe 2, based on the first-principles total energy density functional theory analysis. We have clarified that the structural transition occurs through the interplay among the charge density wavelike lattice modulation with q 1/5=(1/5,0,1/5), in-plane dimer ordering, and the uniform lattice deformation. The Ir-Ir dimer formation via a molecular-orbital version of the Jahn-Teller distortion in the Ir-Ir zigzag stripe is found to play the most important role in producing the charge disproportionation state. Angle-resolved photoemission spectroscopy reveals the characteristic features of structural transition, which are in good agreement with the density functional theory bands obtained by the band-unfolding technique.

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 Dates: 2015-03-31
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 15013833
DOI: 10.1103/PhysRevLett.114.136401
 Degree: -

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Title: Physical Review Letters
  Abbreviation : Phys. Rev. Lett.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Physical Society
Pages: - Volume / Issue: 114 (13) Sequence Number: 136401 Start / End Page: 1 - 5 Identifier: ISSN: 0031-9007
CoNE: /journals/resource/954925433406_1