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Title

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

AuthorsSaiz, Fernan; Carrete, Jesus; Rurali, Riccardo
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<inline-formula> <math display="inline"> <semantics> <msub> <mrow></mrow> <mn>3</mn> </msub> </semantics> </math> </inline-formula>) by means of an iterative solution of the Boltzmann transport equation based on <i>ab-initio</i> 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.
URIhttp://hdl.handle.net/10261/209471
Identifiersdoi: 10.3390/nano10040704
Appears in Collections:Colección MDPI
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