Exposing the hidden influence of selection rules on phonon-phonon scattering by pressure and temperature tuning.

Nature Communications
Navaneetha K Ravichandran, David Broido

Abstract

Selection rules act to restrict the intrinsic anharmonic interactions between phonons in all crystals. Yet their influence on phonon propagation is hidden in most materials and so, hard to interrogate experimentally. Using ab initio calculations, we show that the otherwise invisible impact of selection rules on three-phonon scattering can be exposed through anomalous signatures in the pressure (P) and temperature (T) dependence of the thermal conductivities, κ, of certain compounds. Boron phosphide reveals such underlying behavior through an exceptionally sharp initial rise in κ with increasing P, which may be the steepest of any material, and also a peak and decrease in κ at high P. These features are in stark contrast to the measured behavior for many solids, and they occur at experimentally accessible conditions. These findings give a deep understanding of phonon lifetimes and heat conduction in solids, and motivate experimental efforts to observe the predicted behavior.

References

Feb 15, 1985·Physical Review. B, Condensed Matter·S Tamura, H J Maris
Feb 15, 2007·Proceedings of the National Academy of Sciences of the United States of America·Anne M Hofmeister
Oct 25, 2011·Proceedings of the National Academy of Sciences of the United States of America·Geeth M ManthilakeCatherine A McCammon
Aug 10, 2013·Scientific Reports·Douglas Allen DaltonAlexander F Goncharov
Nov 10, 2018·Physical Review Letters·Chunhua LiDavid Broido
Jan 4, 2019·Nature Communications·Maksim KunitskiReinhard Dörner
Apr 3, 2021·Physical Review Letters·Ashis KunduWu Li

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