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This study focused on the investigation of Nb0.8CoSb half-Heusler alloy covered with Nb films. By employing in-situ heating transmission electron microscopy (TEM) technique, diffusion of Nb was observed at high temperature, resulting in the ordering transformation from Nb0.8CoSb to Nb0.8+δCoSb. Through observations of high-angle annular dark-field (HAADF) images and selected-area electron diffraction (SAED) patterns, it was found that under elevated temperatures, the diffuse streaks representing short-range disorder in Nb0.8CoSb samples transitioned into superlattice diffraction spots representing long-range order. The modulation wave vector of this superstructure was determined to be q=1/3(a* + b*-c*). This structural evolution primarily arised from the diffusion of Nb atoms from the Nb film into the Nb0.8CoSb sample at high temperature, leading to compositional changes in Sb and Nb. Further comparative analysis revealed significant differences between in-situ synthesized Nb0.8+δCoSb samples and ex-situ synthesized Nb0.84CoSb samples despite both exhibiting superstructures. In the ex-situ synthesized Nb0.84CoSb, the modulation wave vector of the superstructure was <q=1/3(2a*-2c*), mainly attributed to Nb compositional variations. Moreover, the superstructure in Nb0.84CoSb samples could remain stable from room temperature tor high temperature, whereas in Nb0.8+δCoSb samples, it only existed at elevated temperatures and gradually weakened as the temperature decreased, suggesting it might be a metastable structure between Nb0.8CoSb and Nb0.84CoSb. In summary, this study reveals the diversity of superstructures induced by compositional variations and the complexity of structural phase transitions in half-Heusler alloys, enriching the understanding of these materials and providing important guidance for the design and functional control of phase-change materials
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Keywords:
- solid-state phase transition /
- in-situ heating /
- short-range ordering /
- half-Heusler alloy
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