Phonon transport manipulation in TiSe2 via reversible charge density wave melting

Autor: Martí Raya-Moreno, Claudio Cazorla, Enric Canadell, Riccardo Rurali
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: npj 2D Materials and Applications, Vol 8, Iss 1, Pp 1-9 (2024)
Druh dokumentu: article
ISSN: 2397-7132
DOI: 10.1038/s41699-024-00501-9
Popis: Abstract Titanium diselenide (TiSe2) is a layered material that under a critical temperature of T c ≈ 200 K features a periodic modulation of the electron density, known as charge density wave (CDW), which finds applications in quantum information and emerging electronic devices. Here, we present first-principles calculations showing the suppression of the CDW via photoexcitation and consequent stabilization of the undistorted high-temperature phase, in agreement with experimental observations. Interestingly, the unfolded CDW melting is accompanied by a sizable reduction in the thermal conductivity, κ, of up to 25% and a large entropy increase of ~10 J K−1 kg−1. The significant κ variation is almost entirely originated from photoinduced changes in the phonon–phonon scattering processes involving a high-symmetry soft phonon mode. Our results open new possibilities in the design of devices for thermal management and phonon-based logic, and suggest original applications in the of context solid-state cooling.
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