Elastic Moduli: a Tool for Understanding Chemical Bonding and Thermal Transport in Thermoelectric Materials.

The elastic behavior of a material can be a powerful tool to decipher thermal transport. In thermoelectrics, measuring the elastic moduli-directly tied to sound velocity-is critical to understand trends in lattice thermal conductivity, as well as study bond anharmonicity and phase transitions, given the sensitivity of elastic moduli to the chemical bonding. In this review, we introduce the basics of elasticity and explain the origin of high-temperature lattice softening from a bonding perspective. We then review elasticity data throughout classes of thermoelectrics, and explore trends in sound velocity, anharmonicity, and thermal conductivity. We reveal how experimental sound velocities can improve the accuracy of common thermal conductivity models and present a critical discussion of Grüneisen parameter estimates from elastic moduli. Readers will be equipped with tools to leverage elasticity measurements or calculations to accurately interpret thermal transport trends.

Spin dynamics in Na(4-x)Ir3O8 (x = 0.3 and 0.7) investigated by ²³Na NMR and µSR.

We report (23)Na nuclear magnetic resonance (NMR) and zero-field (ZF) and longitudinal-field (LF) muon spin relaxation (µSR) measurements of the depleted hyperkagome compounds Na(4-x)Ir3O8 (x = 0.3 and 0.7), which undergo an insulator-semimetal transition as a function of x. The (23)Na spin-lattice relaxation rates, T1(-1), follow a T(2.5) power law behavior at accessible temperatures of T = 120-350 K. A substantial temperature dependence of T1(-1) indicates the presence of gapped excitations at elevated temperatures through the transition to a semimetallic phase. ZF-µSR results reveal that hole-doping leads to a melting of quasi-static order to a dynamically fluctuating state. The very slow muon depolarization rate which varies hardly with temperature indicates that spins are close to an itinerant limit in the largest doping x = 0.7. The dynamic relaxation rates extracted from the LF-µSR spectra show a three-dimensional diffusive transport. Our combined NMR and µSR results suggest the occurrence of intriguing spin and charge excitations across the insulator-semimetal transition.