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首页> 外文期刊>Physica Scripta: An International Journal for Experimental and Theoretical Physics >A comprehensive study of phonon anomalies in TmSe
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A comprehensive study of phonon anomalies in TmSe

机译：TmSe中声子异常的综合研究

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摘要

Phonon anomalies in intermediate valence compound TmSe have been studied using a three-body force rigid shell model (TRSM). Three-body interactions have been used because, due to valence fluctuations, the radii of rare-earth (RE) ion change significantly and therefore, the amount of overlap with neighboring chalcogen ions also changes. While the former fact results into the deformation of the RE ion, the latter fact gives rise to long-range three-body interactions between the transferred charges of the lattice. Actually, both facts influence the phonon dispersion curves (PDCs) strongly, particularly along the zone boundary. By using this model, the results of the calculation are found to agree well with the measured data for phonon dispersion as compared to the earlier results reported by using a three- body rigid ion model (TRIM). We also report Debye temperature variation and two-phonon IR/Raman spectra but these could not be compared with experimental data, as they are not available as yet.
机译：使用三体力刚性壳模型（TRSM）研究了中价化合物TmSe中的声子异常。之所以使用三体相互作用，是因为由于化合价的波动，稀土（RE）离子的半径发生了显着变化，因此与相邻硫族元素离子的重叠量也发生了变化。前者导致RE离子变形，而后者导致晶格转移电荷之间的长距离三体相互作用。实际上，这两个事实都会强烈影响声子色散曲线（PDC），尤其是在区域边界上。与使用三体刚性离子模型（TRIM）报告的早期结果相比，通过使用该模型，发现计算结果与声子弥散的实测数据非常吻合。我们还报告了德拜的温度变化和两声子红外/拉曼光谱，但由于尚无法获得，因此无法与实验数据进行比较。

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