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Title

Anisotropic Thermal Conductivity in Few-Layer and Bulk Titanium Trisulphide from First Principles

AuthorsSaiz, Fernan; Carrete, Jesús; Rurali, Riccardo
KeywordsThermal transport
First-principles calculations
Lattice dynamics
2D materials
Issue Date8-Apr-2020
PublisherMultidisciplinary Digital Publishing Institute
CitationNanomaterials 10(4): 704 (2020)
AbstractWe study the thermal conductivity of monolayer, bilayer, and bulk titanium trisulphide (TiS 3 ) by means of an iterative solution of the Boltzmann transport equation based on ab-initio force constants. Our results show that the thermal conductivity of these layers is anisotropic and highlight the importance of enforcing the fundamental symmetries in order to accurately describe the quadratic dispersion of the flexural phonon branch near the center of the Brillouin zone.
Description© 2020 by the authors.
Publisher version (URL)https://doi.org/10.3390/nano10040704
URIhttp://hdl.handle.net/10261/209471
DOI10.3390/nano10040704
ISSN2079-4991
E-ISSN2079-4991
Appears in Collections:(ICMAB) Artículos
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