We investigated changes in the structural and electronic properties of single-crystalline $\mathrm{T}{\mathrm{i}}_3{\mathrm{O}}_5$ films across temperature-induced phase transitions. Based on resistivity and synchrotron x-ray diffraction measurements, we determined the phase diagram of $\mathrm{T}{\mathrm{i}}_3{\mathrm{O}}_5$. The characteristic properties of $\mathrm{T}{\mathrm{i}}_3{\mathrm{O}}_5$ were classified into three temperature regions: the insulating λ phase at $T$ ≤ 350 K, the conductive λ phase at 350 K ≤ $T$ ≤ 460 K via the metal-insulator transition, and the metallic α phase at $T$ ≥ 460 K. Detailed crystallographic analysis revealed that the monoclinic λ phase exhibited a second-order structural phase transition to the orthorhombic α phase, accompanied by a gradual deformation of the monoclinic angle. These results suggest that unusual temperature-induced changes in $\mathrm{T}{\mathrm{i}}_3{\mathrm{O}}_5$ originate from similar atomic conformations of the λ and α phases. Our findings provide guidelines for controlling multiple phase transitions in $\mathrm{T}{\mathrm{i}}_3{\mathrm{O}}_5$ polymorphs using external stimuli, which is crucial for optoelectronic and heat-storage applications of $\mathrm{T}{\mathrm{i}}_3{\mathrm{O}}_5$.

中文翻译：

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λ 相 Ti3O5 中温度引起的结构和电子相变

我们研究了单晶的结构和电子特性的变化$\mathrm{时间}{\mathrm{我}}_3{\mathrm{氧}}_5$薄膜跨越温度诱导的相变。基于电阻率和同步加速器 X 射线衍射测量，我们确定了相图$\mathrm{时间}{\mathrm{我}}_3{\mathrm{氧}}_5$。的特征属性$\mathrm{时间}{\mathrm{我}}_3{\mathrm{氧}}_5$分为三个温度区域：绝缘λ相$\mathrm{时间}$≤ 350 K， 350 K 时的导电λ相 ≤$\mathrm{时间}$≤ 460 K 通过金属-绝缘体转变，并且金属α相在$\mathrm{时间}$≥ 460 K。详细的晶体学分析表明，单斜λ相表现出向斜方α相的二级结构相变，并伴随着单斜晶角的逐渐变形。这些结果表明，温度引起的异常变化$\mathrm{时间}{\mathrm{我}}_3{\mathrm{氧}}_5$源自λ和α相的相似原子构象。我们的研究结果为控制多相变提供了指导$\mathrm{时间}{\mathrm{我}}_3{\mathrm{氧}}_5$利用外部刺激形成多晶型物，这对于光电子和蓄热应用至关重要$\mathrm{时间}{\mathrm{我}}_3{\mathrm{氧}}_5$。