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Boson peak of As_xS_(1-x) glasses and theoretical calculations of low frequencies clusters vibrations

机译:As_xS_(1-x)眼镜的玻色子峰及低频群振动的理论计算

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摘要

The results of comparison of spectral position of the LF bands of g-As_2S_3 and g-As_(22)S_(78) with theoretical calculations of vibrational spectra of different clusters (As_2S_4, As_2S_5, As_2S_6, AsS._3-As_3) in the LF region (10-85 cm~(-1)) are given. The torsion type vibrations of the small chain-like clusters are located in the same spectral region as Boson peak of As-S glasses system. They can make several contributions to the LF spectrum. The cluster lengths by weight distribution functions f(L)~* L are from 5.5 to 10.1 A and from 4.5 to 7.5 A for g-As_2S_3 and g-As_(22)S_(78), respectively. Thelognormal fittings of the/(L)~*L functions give the most probably values about the 7.6 A (for g-As_2S_3) and 6.2 A (for g-As_(22)S_(78)).
机译:将g-As_2S_3和g-As_(22)S_(78)的LF波段的光谱位置与不同团簇(As_2S_4,As_2S_5,As_2S_6,AsS._3-As_3)的振动光谱的理论计算结果进行比较的结果给出了LF区域(10-85 cm〜(-1))。小链状团簇的扭转型振动位于与As-S眼镜系统的玻色子峰相同的光谱区域中。它们可以为LF频谱做出一些贡献。对于g-As_2S_3和g-As_(22)S_(78),通过权重分布函数f(L)〜* L的簇长度分别为5.5至10.1 A和4.5至7.5A。 /(L)〜* L函数的对数正态拟合给出的最大值约为7.6 A(对于g-As_2S_3)和6.2 A(对于g-As_(22)S_(78))。

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