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Abstract Bandstructure engineering is a key route for thermoelectric performance enhancement. Here, 20–50% Seebeck (S) enhancement is reported for XNiCu_ySn half‐Heusler samples based onX= Ti. This novel electronic effect is attributed to the emergence of impurity bands of finite extent, due to the Cu dopants. Depending on the dispersion, extent, and offset with respect to the parent material, these bands are shown to enhanceSto different degrees. Experimentally, this effect is controllable by the Ti content of the samples, with the addition of Zr/Hf gradually removing the enhancement. At the same time, the mobility remains largely intact, enabling power factors ≥3 mW m⁻¹K⁻²near room temperature, increasing to ≥5 mW m⁻¹K⁻²at high temperature. Combined with reduced thermal conductivity due to the Cu interstitials, this enables high averagezT= 0.67–0.72 between 320 and 793 K for XNiCu_ySn compositions with ≥70% Ti. This work reveals the existence of a new route for electronic performance enhancement in n‐type XNiSn materials that are normally limited by their single carrier pocket. In principle, impurity bands can be applied to other materials and provide a new direction for further development. 

Abstract Antiferroelectric materials, where the transition between antipolar and polar phase is controlled by external electric fields, offer exceptional energy storage capacity with high efficiencies, giant electrocaloric effect, and superb electromechanical response. PbZrO₃is the first discovered and the archetypal antiferroelectric material. Nonetheless, substantial challenges in processing phase pure PbZrO₃have limited studies of the undoped composition, hindering understanding of the phase transitions in this material or unraveling the controversial origins of a low‐field ferroelectric phase observed in lead zirconate thin films. Leveraging highly oriented PbZrO₃thin films, a room‐temperature ferrielectric phase is observed in the absence of external electric fields, with modulations of amplitude and direction of the spontaneous polarization and large anisotropy for critical electric fields required for phase transition. The ferrielectric state observations are qualitatively consistent with theoretical predictions, and correlate with very high dielectric tunability, and ultrahigh strains (up to 1.1%). This work suggests a need for re‐evaluation of the fundamental science of antiferroelectricity in this archetypal material. 

Abstract Scanning Probe Microscopy (SPM) based techniques probe material properties over microscale regions with nanoscale resolution, ultimately resulting in investigation of mesoscale functionalities. Among SPM techniques, piezoresponse force microscopy (PFM) is a highly effective tool in exploring polarization switching in ferroelectric materials. However, its signal is also sensitive to sample‐dependent electrostatic and chemo‐electromechanical changes. Literature reports have often concentrated on the evaluation of theOff‐fieldpiezoresponse, compared toOn‐fieldpiezoresponse, based on the latter's increased sensitivity to non‐ferroelectric contributions. Using machine learning approaches incorporatingboth Off‐andOn‐fieldpiezoresponse response as well asOff‐fieldresonance frequency to maximize information, switching piezoresponse in a defect‐rich Pb(Zr,Ti)O₃thin film is investigated. As expected, one major contributor to the piezoresponse is mostly ferroelectric, coupled with electrostatic phenomena duringOn‐fieldmeasurements. A second component is electrostatic in nature, while a third component is likely due to a superposition of multiple non‐ferroelectric processes. The proposed approach will enable deeper understanding of switching phenomena in weakly ferroelectric samples and materials with large chemo‐electromechanical response.