The physical mechanism of extremely low thermal conductivity of BiCuTeO and BiCuSeO revealed by inelastic neutron and Raman spectroscopy

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dc.contributor.authorLin, Den_AU
dc.contributor.authorDong, STen_AU
dc.contributor.authorZhang, YYen_AU
dc.contributor.authorLv, YYen_AU
dc.contributor.authorZhou, Jen_AU
dc.contributor.authorChen, YBen_AU
dc.contributor.authorMole, RAen_AU
dc.contributor.authorYao, SHen_AU
dc.contributor.authorYu, DHen_AU
dc.date.accessioned2025-01-09T02:11:29Zen_AU
dc.date.available2025-01-09T02:11:29Zen_AU
dc.date.issued2020-06-15en_AU
dc.date.statistics2024-09-25en_AU
dc.description.abstractLayered structure BiCuSeO-based compounds have extremely low thermal conductivity about ∼0.5–0.8 W/m·K, and the corresponding physical origin has been extensively studied by the first-principles calculations. Here we experimentally revealed the physical mechanism of extremely low thermal conductivity in BiCuSeO and BiCuTeO through inelastic neutron and Raman scattering spectroscopy. Generalized phonon density of states (PDOS) characterized by inelastic neutron scattering reveals that the average acoustic-phonon velocities of BiCuSeO and BiCuTeO are as low as 2104 and 1547 m/s, respectively, which are lower than most of normal materials (∼3000 m/s), and strong anharmonic effect in BiCuSeO and BiCuTeO. Strongly anharmonic effect is also verified by the large Grüneisen constant of specific optical-phonon mode of BiCuSeO and BiCuTeO (∼6.7 in BiCuTeO). The calculated thermal conductivities of BiCuSeO and BiCuTeO by phenomenological thermal conductivity formula, under approximation of the relaxation-time as minimum quasi-particle lifetime of optical-phonon mode, are close to experimental values. Our work sheds more light on the physical mechanism of extremely low thermal conductivity in these compounds. © 2020 Elsevier B.V.en_AU
dc.description.sponsorshipWe would like to acknowledge the financial support from the National Natural Science Foundation of China (51032003, 51872134, 51702132, 51890861 and 11890702), the Foundation for Innovative Research Groups of the National Natural Science Foundation of China (Grant No. 51721001) and the National Key R&D Program of China (2016YFA0201104). This work is supported by the Natural Science Foundation of Jiangsu Province, China (No. BK20171343). The use of the computational resources in the High Performance Computing Center of Nanjing University for this work is also acknowledged. The authors would also like to thank the ACNS for access to neutron scattering facilities at ANSTO.en_AU
dc.identifier.articlenumber154161en_AU
dc.identifier.citationLin, D., Dong, S.-T., Zhang, Y.-Y., Lv, Y.-Y., Zhou, J., Chen, Y. B., Mole, R. A., Yao, S.-H., & Yu, D. (2020). The physical mechanism of extremely low thermal conductivity of BiCuTeO and BiCuSeO revealed by inelastic neutron and Raman spectroscopy. Journal of Alloys and Compounds, 826, 154161. doi:10.1016/j.jallcom.2020.154161en_AU
dc.identifier.issn0925-8388en_AU
dc.identifier.journaltitleJournal of Alloys and Compoundsen_AU
dc.identifier.urihttp://dx.doi.org/10.1016/j.jallcom.2020.154161en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/15860en_AU
dc.identifier.volume826en_AU
dc.languageEnglishen_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectThermal conductivityen_AU
dc.subjectTelluriumen_AU
dc.subjectCopperen_AU
dc.subjectBismuthen_AU
dc.subjectNeutronsen_AU
dc.subjectRaman spectroscopyen_AU
dc.subjectInelastic scatteringen_AU
dc.subjectPhononsen_AU
dc.titleThe physical mechanism of extremely low thermal conductivity of BiCuTeO and BiCuSeO revealed by inelastic neutron and Raman spectroscopyen_AU
dc.typeJournal Articleen_AU
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