Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevLett.121.226602
Title: Reproduction of the Charge Density Wave Phase Diagram in 1T-TiSe2 Exposes its Excitonic Character
Authors: CHEN CHUAN 
Singh, Bahadur 
Lin, Hsin 
Pereira, Vitor M 
Keywords: Science & Technology
Physical Sciences
Physics, Multidisciplinary
Physics
SUPERLATTICE FORMATION
LATTICE INSTABILITY
PHOTOEMISSION
SEMIMETAL
STATE
FILMS
TISE2
Issue Date: 29-Nov-2018
Publisher: AMER PHYSICAL SOC
Citation: CHEN CHUAN, Singh, Bahadur, Lin, Hsin, Pereira, Vitor M (2018-11-29). Reproduction of the Charge Density Wave Phase Diagram in 1T-TiSe2 Exposes its Excitonic Character. PHYSICAL REVIEW LETTERS 121 (22). ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevLett.121.226602
Abstract: © 2018 American Physical Society. Recent experiments suggest that excitonic degrees of freedom play an important role in precipitating the charge density wave (CDW) transition in 1T-TiSe2. Through systematic calculations of the electronic and phonon spectrum based on density functional perturbation theory, we show that the predicted critical doping of the CDW phase overshoots the experimental value by 1 order of magnitude. In contrast, an independent self-consistent many-body calculation of the excitonic order parameter and renormalized band structure is able to capture the experimental phase diagram in extremely good qualitative and quantitative agreement. This demonstrates that electron-electron interactions and the excitonic instability arising from direct electron-hole coupling are pivotal to accurately describe the nature of the CDW in this system. This has important implications to understand the emergence of superconductivity within the CDW phase of this and related systems.
Source Title: PHYSICAL REVIEW LETTERS
URI: https://scholarbank.nus.edu.sg/handle/10635/155123
ISSN: 0031-9007
1079-7114
DOI: 10.1103/PhysRevLett.121.226602
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