Electronic structure and lattice dynamics of 1T-VSe\(_2\): origin of the 3D-CDW

In order to characterize in detail the charge density wave (CDW) transition of 1\(T\)-VSe\(_2\), its electronic structure and lattice dynamics are comprehensively studied by means of x-ray diffraction, angle resolved photoemission (ARPES), diffuse and inelastic x-ray scattering (IXS), and state-of-t...

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Published in:arXiv.org 2023-07
Main Authors: Josu Diego, Subires, D, Said, A H, Chaney, D A, Korshunov, A, Garbarino, G, Diekmann, F, Mahatha, K, Pardo, V, Strempfer, J, Bereciartua Perez, Pablo J, Francoual, S, Popescu, C, Tallarida, M, Dai, J, Bianco, Raffaello, Monacelli, Lorenzo, Calandra, Matteo, Bosak, A, Mauri, Francesco, Rossnagel, K, Fumega, Adolfo O, Errea, Ion, Blanco-Canosa, S
Format: Article
Language:English
Subjects:
Anharmonicity
Anomalies
Charge density waves
Density functional theory
Dynamic structural analysis
Elastic scattering
Electron phonon interactions
Electronic structure
Electrons
First principles
Inelastic scattering
Mathematical analysis
Momentum
Phonons
Photoelectric emission
Pressure dependence
Room temperature
X-ray scattering
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Summary:In order to characterize in detail the charge density wave (CDW) transition of 1\(T\)-VSe\(_2\), its electronic structure and lattice dynamics are comprehensively studied by means of x-ray diffraction, angle resolved photoemission (ARPES), diffuse and inelastic x-ray scattering (IXS), and state-of-the-art first principles density functional theory calculations. Resonant elastic x-ray scattering (REXS) does not show any resonant enhancement at either V or Se K-edges, indicating that the CDW peak describes a purely structural modulation of the electronic ordering. ARPES identifies (i) a pseudogap at T\(>\)T\(_{CDW}\), which leads to a depletion of the density of states in the \(ML-M'L'\) plane at T\(
ISSN:2331-8422