Theoretical Study of Efficient Photon–Phonon Resonance Absorption in the Tungsten-Related Vibrational Mode of Scheelite,ACS Omega

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Theoretical Study of Efficient Photon–Phonon Resonance Absorption in the Tungsten-Related Vibrational Mode of Scheelite
ACS Omega ( IF 3.7 ) Pub Date : 2024-02-20 , DOI: 10.1021/acsomega.3c08636
Yi Yin ₁ , Yi-Ning Li ₁ , Sicheng Liu ₁ , Yan Jiang ₁ , Xiao-Yan Liu ₁ , Peng Zhang ₁

Affiliation

Tungsten (W) is an extremely rare and vital metal extensively used in metallurgy, the chemical industry, optoelectronic devices, and machinery manufacturing. In this work, an environmentally friendly and efficient physical method based on photon–phonon resonance absorption (PPRA) is proposed for separating W from scheelite. We calculated the vibrational spectrum of calcium tungstate (CaWO₄) and assigned the infrared (IR) absorption and Raman scattering peaks through a dynamic analysis of the normal modes. We focused on the strong IR absorption peaks related to W and identified three high-intensity IR-active modes at around 830 cm^–1, corresponding to the stretching of the W–O bonds. Therefore, we propose the use of high-power terahertz (∼25 THz) laser radiation to facilitate W extraction from compounds, leveraging the high efficiency of PPRA. Experimental testing is required to determine the precise absorption frequency under industrial production conditions.

中文翻译：

白钨矿与钨相关的振动模式中高效光子-声子共振吸收的理论研究

钨（W）是一种极其稀有和重要的金属，广泛应用于冶金、化工、光电器件和机械制造等领域。在这项工作中，提出了一种基于光子-声子共振吸收（PPRA）的环保且高效的物理方法来从白钨矿中分离钨。我们计算了钨酸钙 (CaWO ₄ ) 的振动光谱，并通过简正模式的动态分析指定了红外 (IR) 吸收峰和拉曼散射峰。我们重点关注与 W 相关的强红外吸收峰，并在 830 cm ^–1附近确定了三种高强度红外活性模式，对应于 W-O 键的拉伸。因此，我们建议使用高功率太赫兹（∼25 THz）激光辐射，利用 PPRA 的高效率，促进从化合物中提取 W。需要通过实验测试来确定工业生产条件下精确的吸收频率。

更新日期：2024-02-20

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