<?xml version='1.0' encoding='utf-8'?> <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd"> <dc:creator>Simoncelli, Michele</dc:creator> <dc:creator>Marzari, Nicola</dc:creator> <dc:creator>Mauri, Francesco</dc:creator> <dc:date>2019-04-08</dc:date> <dc:description>Crystals and glasses exhibit fundamentally different heat conduction mechanisms: the periodicity of crystals allows for the excitation of propagating vibrational waves that carry heat, as first discussed by Peierls; in glasses, the lack of periodicity breaks Peierls' picture and heat is mainly carried by the coupling of vibrational modes, often described by a harmonic theory introduced by Allen and Feldman. Anharmonicity or disorder are thus the limiting factors for thermal conductivity in crystals or glasses; hitherto, no transport equation has been able to account for both. In the paper https://arxiv.org/abs/1901.01964, we derive such equation, resulting in a thermal conductivity that reduces to the Peierls and Allen-Feldman limits, respectively, in anharmonic-and-ordered or harmonic-and-disordered solids, while also covering the intermediate regimes where both effects are relevant. This approach also solves the long-standing problem of accurately predicting the thermal properties of crystals with ultralow or glass-like thermal conductivity, as we show with an application to a thermoelectric material representative of this class. This database contains the raw data related to the images reported in the paper https://arxiv.org/abs/1901.01964.</dc:description> <dc:identifier>https://archive.materialscloud.org/record/2019.0001/v2</dc:identifier> <dc:identifier>doi:10.24435/materialscloud:2019.0001/v2</dc:identifier> <dc:identifier>mcid:2019.0001/v2</dc:identifier> <dc:identifier>oai:materialscloud.org:81</dc:identifier> <dc:language>en</dc:language> <dc:publisher>Materials Cloud</dc:publisher> <dc:rights>info:eu-repo/semantics/openAccess</dc:rights> <dc:rights>Creative Commons Attribution Non Commercial 4.0 International https://creativecommons.org/licenses/by-nc/4.0/legalcode</dc:rights> <dc:subject>Thermal conductivity</dc:subject> <dc:subject>CsPbBr3</dc:subject> <dc:subject>Phonon linewidths</dc:subject> <dc:title>Unified theory of thermal transport in crystals and disordered solids</dc:title> <dc:type>Dataset</dc:type> </oai_dc:dc>