Raman signatures of inversion symmetry breaking structural transition in quasi-1D compound, (TaSe4)3I.

IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Journal of Physics: Condensed Matter Pub Date : 2025-01-29 DOI:10.1088/1361-648X/ada843
Arnab Bera, Partha Sarathi Rana, Suman Kalyan Pradhan, Mainak Palit, Surabhi Saha, Sk Kalimuddin, Satyabrata Bera, Tuhin Debnath, Soham Das, Deep Singha Roy, Subhadeep Datta, Mintu Mondal
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Abstract

The breaking of inversion symmetry combined with spin-orbit coupling, can give rise to intriguing quantum phases and collective excitations. Here, we report systematic temperature dependent Raman scattering and theoretical calculations of phonon modes across the inversion symmetry-breaking structural transitions in a quasi-one-dimensional compound (TaSe4)3I. Our investigation revealed the emergence of three additional Raman-active modes in Raman spectra of the low-temperature non-centrosymmetric (NC) structure of the material. From polarization dependent Raman spectra and phonon mode symmetry analysis, we have identified the origin of these three newly appeared additional Raman-active modes. Notably, two of these modes become Raman active due to the loss of inversion symmetry, while the third mode is identified as a soft phonon mode, arising from the distinctive vibrational motion of tantalum (Ta) atoms along the -Ta-Ta- chains. Furthermore, the temperature evolution of self-energy parameters indicates significant changes in the characteristics of the Raman modes across the transition. Latent heat measurements near the phase transition using Differential Scanning Calorimetry confirm the first-order nature of the transition. Theoretical analysis, including group theory and modeling, reaffirms the displacive first-order nature of the structural transition. Our findings establish (TaSe4)3I as a model quasi-one-dimensional system with broken inversion symmetry facilitated through a displacive first-order structural transition.

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准一维化合物(TaSe4)3I中逆对称破缺结构转变的拉曼特征
逆对称的破缺加上自旋-轨道耦合,会产生量子相和集体激发。在这里,我们报告了准一维化合物(TaSe4)3I中系统温度依赖的拉曼散射和跨反转对称- ;破坏结构转变的声子模式的理论计算。我们的研究 ;揭示了在材料的低 ;温度(LT)非中心对称(NC)结构的拉曼光谱中出现了三个额外的拉曼活性模式。从偏振依赖拉曼光谱和声子模对称性分析,我们已经确定了这三个新出现的额外拉曼主动模式的起源。值得注意的是,其中两种模式由于反演对称性的丧失而变得拉曼 ;活跃,而第三种模式被确定为软声子模式, ;由钽(Ta)原子沿着-Ta-Ta-链的独特振动运动产生。 ;此外,自能参数的温度演化表明,拉曼模式的特征在整个转变过程中发生了显著变化。用差示扫描量热法(DSC)在 ;相变附近测量潜热,证实了 ;相变的一阶性质。理论分析,包括群论和建模,重申了结构转变的置换 ;一级性质。我们的研究结果表明(TaSe4)3I是一个模型准- ;一维系统,通过位移一阶 ;结构转变促进了反演对称性的破坏。
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来源期刊
Journal of Physics: Condensed Matter
Journal of Physics: Condensed Matter 物理-物理:凝聚态物理
CiteScore
5.30
自引率
7.40%
发文量
1288
审稿时长
2.1 months
期刊介绍: Journal of Physics: Condensed Matter covers the whole of condensed matter physics including soft condensed matter and nanostructures. Papers may report experimental, theoretical and simulation studies. Note that papers must contain fundamental condensed matter science: papers reporting methods of materials preparation or properties of materials without novel condensed matter content will not be accepted.
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