Nb<sub>0.8</sub>CoSb ordering transformation caused by <i>in situ</i> heating-induced Nb diffusion

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Abstract

This study focuses on the investigation of Nb _0.8CoSb half-Heusler alloy covered with Nb films. By employing in-situheating transmission electron microscopy (TEM) technique, diffusion of Nb is observed at high temperature, showing the ordering transformation from Nb _0.8CoSb to Nb _0.8+δCoSb. Through observations of high-angle annular dark-field (HAADF) images and selected-area electron diffraction (SAED) patterns, it is found that under elevated temperatures, the diffuse streaks representing short-range disorder in Nb _0.8CoSb sample transform into superlattice diffraction spots representing long-range order. The modulation wave vector of this superstructure is determined to be $ q={1}/{3}({a}^{*}+{b}^{*}-{c}^{*}) $ . This structural evolution primarily arises from the diffusion of Nb atoms from the Nb film into the Nb _0.8CoSb sample at high temperature, leading to compositional changes in Sb and Nb. Further comparative analysis reveals significant differences between in-situsynthesized Nb _0.8+δCoSb samples and ex-situsynthesized Nb _0.84CoSb samples despite both exhibiting superstructures. In the ex-situsynthesized Nb _0.84CoSb, the modulation wave vector of the superstructure is $ q={1}/{3}({2a}^{*}-2{c}^{*}) $ , which is mainly attributed to Nb compositional variations. Moreover, the superstructure in Nb _0.84CoSb sample can remain stable from room temperature to high temperature, whereas in Nb _0.8+δCoSb samples, it only exists at elevated temperatures and gradually weakens as the temperature decreases, suggesting that it may be a metastable structure between Nb _0.8CoSb and Nb _0.84CoSb. 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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Corresponding author:Ge Bing-Hui,bhge@ahu.edu.cn

Funds:Project supported by the National Natural Science Foundation of China (Grant Nos. 11874394, 92163203).

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Vol. 73, Issue 11 - 2024-06-05

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