2827781a8cbe6dc54c6ac61589532453 pmc_32276374.pdf 1ba150391e7626ef9fb6fd8d343861ee81e79f0b pmc_32276374.pdf c516a0a981e10cbaf8b28114b5b9b019a5a6bba40b7d8a820e6123bb736b2300 pmc_32276374.pdf Title: Anisotropic Thermal Conductivity in Few-Layer and Bulk Titanium Trisulphide from First Principles Subject: We study the thermal conductivity of monolayer, bilayer, and bulk titanium trisulphide (TiS3) 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. Keywords: thermal transport; first-principles calculations; lattice dynamics; 2D materials Author: Fernan Saiz, Jesus Carrete and Riccardo Rurali Creator: LaTeX with hyperref package Producer: pdfTeX-1.40.18 CreationDate: Wed Apr 8 12:16:59 2020 CEST ModDate: Wed Apr 8 12:16:59 2020 CEST Custom Metadata: yes Metadata Stream: no Tagged: no UserProperties: no Suspects: no Form: none JavaScript: no Pages: 10 Encrypted: no Page size: 595.276 x 841.89 pts (A4) Page rot: 0 File size: 1006896 bytes Optimized: no PDF version: 1.5 name type encoding emb sub uni object ID ------------------------------------ ----------------- ---------------- --- --- --- --------- VXLQRE+URWPalladioL-Ital Type 1 Custom yes yes no 60 0 MNVREE+URWPalladioL-Bold Type 1 Custom yes yes no 61 0 EABCQB+URWPalladioL-Roma Type 1 Custom yes yes no 62 0 ZIGNJS+CMSY10 Type 1 Builtin yes yes no 63 0 OVNEXW+EURM10 Type 1 Builtin yes yes no 64 0 TIPUPG+PazoMath-Italic Type 1 Builtin yes yes no 65 0 OVTLUU+PazoMath Type 1 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