Origin of First-Order-Type Electronic and Structural Transitions in IrTe2
SCIE
SCOPUS
- Title
- Origin of First-Order-Type Electronic and Structural Transitions in IrTe2
- Authors
- Kim, K; Kim, S; Ko, KT; Lee, HH; Park, JH; Yang, JJ; Cheong, SW; Min, BI
- Date Issued
- 2015-03-31
- Publisher
- AMER PHYSICAL SOC
- Abstract
- We have explored the origin of unusual first-order-type electronic and structural transitions in IrTe2, 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 photo-emission 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.
- Keywords
- DENSITY-WAVE INSTABILITY; FERMI-SURFACE; METALS
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/29921
- DOI
- 10.1103/PHYSREVLETT.114.136401
- ISSN
- 0031-9007
- Article Type
- Article
- Citation
- PHYSICAL REVIEW LETTERS, vol. 114, no. 13, page. 136401-1 - 136401-5, 2015-03-31
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