剛玉型過渡金屬氧化物因具備自旋、晶格與聲子等多重自由度之間的交互作用，在凝態物理中深具研究價值。在 Cr–V–O 系統中，Cr 與 V 離子共同佔據同一位置，在維持剛玉結構的同時，卻引入了不同的電子組態。本研究旨在探討剛玉型材料 Cr0.68V1.21O3 在 3.5 K 至 300 K 區間內，其晶體結構、磁性與聲子模式隨溫度的演化關係。研究中綜合運用 X 光與中子繞射、X 光吸收光譜、物理性質量測系統及拉曼光譜等技術進行量測與分析。 結構分析顯示，該材料屬於三方晶系，空間群為 R3c，鉻與釩原子共同佔據八面體中心位置。在量測溫度範圍內無結構相變，但其晶格常數隨溫度升高，呈現c 軸線性收縮、a 與 b 軸線性膨脹的非等向性熱膨脹特徵。磁性量測方面則指出其尼爾溫度為 160 K，低於此溫度時材料轉為反鐵磁有序狀態，磁空間群 R3′c′，飽和磁矩約為 0.88 {\mu }_{B}\ /atom。高溫順磁區的居禮-外斯擬合則顯示材料內部存在約 589 K 的強烈磁交互作用。此外，拉曼光譜觀察到對應於 Cr-O 鍵伸縮振動的 A_{1g} 聲子模式隨升溫發生紅移，證實了該系統中自旋-聲子交互作用的貢獻，耦合常數 {\lambda }_{\text{sp}}\approx 0.56\text{\，meV}.。 本研究完整揭示了 Cr0.68V1.21O3 中磁序演化對晶格與聲子振動的微觀影響機制，為剛玉型材料中多重自由度間的耦合行為提供實驗與量化分析基礎。;Corundum-type transition-metal oxides attract broad interest in condensed matter physics due to the strong interplay among spin， lattice， and phonons. In the Cr–V–O system， the coexistence of Cr and V ions introduces distinct electronic configurations while preserving the corundum framework. This study investigates the temperature-dependent structural， magnetic， and phonon evolution of Cr0.68V1.21O3 across the temperature range of 3.5 to 300 K. Characterization combined X-ray and neutron diffraction， X-ray absorption spectroscopy， PPMS， and Raman spectroscopy. Structural analysis reveal that the compound crystallizes in a Trigonal system， space group R3c， with chromium and vanadium atoms co-occupying the octahedral sites. While no structural phase transition is observed within the investigated temperature range， the lattice parameters exhibit anisotropic thermal expansion upon heating， characterized by a linear contraction along the c axis alongside a linear expansion along the a and b axes. Magnetic measurements determine the Néel temperature to be 160 K. Below this temperature， the compound transitions into an antiferromagnetically ordered state， magnetic space group R3′c′ ， with a saturation magnetic moment of approximately 0.88 {\mu }_{B}\ /atom. In the high-temperature paramagnetic regime， Curie–Weiss fitting indicates a strong internal magnetic interaction of approximately 589 K. Furthermore， Raman spectroscopy reveals a redshift of the A_{1g} phonon mode (assigned to the Cr–O stretching vibration) with increasing temperature， substantiating the contribution of spin–phonon coupling with an estimated coupling constant of {\lambda }_{\text{sp}}\approx 0.56\text{\，meV}. Ultimately， this study comprehensively elucidates the microscopic mechanism by which magnetic ordering evolution influences lattice and phonon dynamics in Cr0.68V1.21O3， providing a solid experimental and quantitative analytical basis for understanding multi-degree-of-freedom coupling behaviors in corundum-type materials.
