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Updated: Dec 24, 2025

Characterization of Thermal Transport in One-dimensional Solid Materials
Published on: January 26, 2014
Anisotropic Thermal Conductivity in Few-Layer and Bulk Titanium Trisulphide from First Principles
Fernan Saiz1, Jesus Carrete2, Riccardo Rurali1
1Institut de Ciència de Materials de Barcelona (ICMAB-CSIC) Campus de Bellaterra, Bellaterra, 08193 Barcelona, Spain.
Abstract:
We 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.
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