Journal
PHYSICAL REVIEW B
Volume 87, Issue 3, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.87.035121
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Funding
- Kakenhi of Japan [22540363]
- Grants-in-Aid for Scientific Research [22540363] Funding Source: KAKEN
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Using the band structure calculation and mean-field analysis of the derived three-chain Hubbard model with phonon degrees of freedom, we discuss the origin of the orthorhombic-to-monoclinic phase transition of the layered chalcogenide Ta2NiSe5. We show that the Bose-Einstein condensation of excitonic electron-hole pairs cooperatively induces the instability of the phonon mode at momentum q -> 0 in the quasi-one-dimensional Ta-NiSe-Ta chain, resulting in the structural phase transition of the system. The calculated single-particle spectra reproduce the deformation of the band structure observed in the angle-resolved photoemission spectroscopy experiment. DOI: 10.1103/PhysRevB.87.035121
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