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Effects of hydrogen ordering on the vibrational spectra of H(D) in HfV2H4-yDy

机译:氢有序化对HfV2H4-yDy中H(D)振动光谱的影响

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The vibrational spectra of H(D) in C15-type HfV2H4.0, HfV2D4.0 and HfV2H1.5D2.5 have been studied by means of inelastic neutron scattering above and below the temperature of H(D) ordering. It has been found that the hydrogen order-disorder transition leads to significant changes in the shape of the hydrogen vibrational spectra. These changes can be attributed (at least, partially) to a redistribution of hydrogen atoms between the interstitial sites with HfV3 and Hf2V2 coordination. The experimental data for the disordered phase of Hfv(2)H(4)(D-4) are consistent with the considerable isotope effect on the occupancy of the HfV3 sites by H(D) atoms. (c) 2006 Elsevier Ltd. All rights reserved.
机译:通过在H(D)有序温度上下的非弹性中子散射,研究了C15型HfV2H4.0,HfV2D4.0和HfV2H1.5D2.5中H(D)的振动谱。已经发现,氢的有序-无序转变导致氢振动谱的形状发生显着变化。这些变化可以(至少部分地)归因于具有HfV3和Hf2V2配位的间隙位置之间氢原子的重新分布。 Hfv(2)H(4)(D-4)的无序相的实验数据与H(D)原子对HfV3位置的占据有相当大的同位素效应是一致的。 (c)2006 Elsevier Ltd.保留所有权利。

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