Commensurate and incommensurate lattice distortions in dysprosium selenide (DySe1.84) and rubidium dysprosium selenide (Rb0.33DySe2.67)
Commensurate and incommensurate lattice distortions in dysprosium selenide (DySe1.84) and rubidium dysprosium selenide (Rb0.33DySe2.67)
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硒化镝 (DySe1.84) 和硒化铷镝 (Rb0.33DySe2.67) 中的等度和不等度晶格畸变
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发表时间：
1993
期刊：
影响因子：
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通讯作者：
M. Aronson
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文献类型：
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作者：
B. Foran;Stephen Lee;M. Aronson
作者报道了两种新化合物DySe[sub 1.84]和Rb[sub 0.33]DySe[sub 2.67]的合成和结构。这两种结构都是Cu[sub 2]Sb和NdTe[sub 3]结构类型的新结构变体。DySe[sub 1.84]具有无公度晶格畸变，Rb[sub 0.33]DySe[sub 2.67]包含占位波。DySe[sub 1.84]的亚结构是具有P4/nmm对称性的四方晶系，a = 4.0124 [埃]，c = 8.261 [埃]，最终R/R[sub w] = 2.0/1.8%。Rb[sub 0.33]DySe[sub 2.67]的亚结构为正交晶系，空间群为Cmcm，a = 4.0579 [埃]，B = 26.47 [埃]，c = 3.8909 [埃]，最终R/R[sub w] = 3.7/1.9%。在这两种结构中，Se原子从高对称位置有明显的位移。作者还报道了扩展的Hueckel能带计算结果，这表明在DySe[sub 1.84]中发现的无公度超晶格是电荷密度波型的。参考文献15篇，图3，2个标签。
The authors report the synthesis and structure of two new compounds, DySe[sub 1.84] and Rb[sub 0.33]DySe[sub 2.67]. Both structures are new structural variants of the Cu[sub 2]Sb and NdTe[sub 3] structure types. DySe[sub 1.84] has an incommensurate lattice distortion, and Rb[sub 0.33]DySe[sub 2.67] contains a site occupancy wave. The substructure of DySe[sub 1.84] is tetragonal with P4/nmm symmetry with a = 4.0124 [angstrom] and c = 8.261 [angstrom] with final R/R[sub w] = 2.0/1.8%. The substructure of Rb[sub 0.33]DySe[sub 2.67] is orthorhombic with space group Cmcm and a = 4.0579 [angstrom], b = 26.47 [angstrom] and c = 3.8909 [angstrom] with final R/R[sub w] = 3.7/1.9%. In both structures there is a clear shift of Se atoms away from high symmetry positions. The authors also reported extended Hueckel band calculations which suggest the incommensurate superlattice found in DySe[sub 1.84] is of charge density wave type. 15 refs., 3 figs., 2 tabs.