Atomic dynamics of i-ScZnMg and its 1/1 approximant phase: Experiment and simulation
Atomic dynamics of i-ScZnMg and its 1/1 approximant phase: Experiment and simulation
复制标题
i-ScZnMg及其1/1近似相的原子动力学：实验与模拟
DOI：
10.1080/14786430802077909
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发表时间：
2008
影响因子：
1.6
通讯作者：
A. Tsai
中科院分区：
文献类型：
--
作者：
M. Mihalkovič;S. Francoual;K. Shibata;M. Boissieu;A. Baron;Y. Sidis;T. Ishimasa;D. Wu;T. Lograsso;L. Regnault;F. Gähler;Satoshi Tsutsui;B. Hennion;P. Bastie;T.J. Sato;H. Takakura;R. Currat;A. Tsai
准晶是一种长程有序材料，缺乏平移不变性，因此对其物理性质的研究仍然是一个具有挑战性的问题。为了研究局域有序和长程有序(周期或准周期)对晶格动力学的影响，我们对Zn-Mg-Sc二十面体准晶和周期立方体1/1近似晶体的单颗粒样品进行了非弹性X射线和中子散射实验。除了总体上的相似之处和横向色散关系中假间隙的存在外，还观察到了显著的不同，在近似关系中的伪间隙比在准晶中更大且更好地定义。这可以用准晶中的伪布里渊区的概念来定性地解释。将这些结果与原子模型上的模拟和使用振荡对势进行了比较，这些模拟已经与从头计算数据进行了拟合。模拟的响应函数不仅再现了色散关系，而且还再现了测量光谱中的观测强度分布。根据该模型计算了投影在簇壳上的偏振态密度。
Quasicrystals are long-range ordered materials that lack translational invariance so that the study of their physical properties remains a challenging problem. In order to study the respective influence of the local order and of the long-range order (periodic or quasiperiodic) on lattice dynamics, we have carried out inelastic X-ray and neutron scattering experiments on single grain samples of the Zn–Mg–Sc icosahedral quasicrystal and of the Zn–Sc periodic cubic 1/1 approximant. Besides the overall similarities and the existence of a pseudo-gap in the transverse dispersion relation, marked differences are observed, the pseudo-gap being larger and better defined in the approximant than in the quasicrystal. This can be qualitatively explained using the concept of pseudo-Brillouin zone in the quasicrystal. These results are compared to simulations on atomic models and using oscillating pair potentials, which have been fitted against ab-initio data. The simulated response function reproduces both the dispersion relation but also the observed intensity distribution in the measured spectra. The partial vibrational density of states, projected on the cluster shells, is computed from this model.
影响因子：
8.6
作者：
Ryuji Tamura;T. Takeuchi;C. Aoki;Shin Takeuchi;T. Kiss;T. Yokoya;S. Shin
通讯作者：
Ryuji Tamura;T. Takeuchi;C. Aoki;Shin Takeuchi;T. Kiss;T. Yokoya;S. Shin
Zn6Sc 立方近似相变的实验证据。
DOI：
--
发表时间：
2010
期刊：
Phys. Rev. B 82
影响因子：
--
作者：
T.Yamada;R.Tamura;Y.Muro;K.Motoya;M.Isobe;Y.Ueda.
通讯作者：
Y.Ueda.
Zn-Sc 近似的低温相
DOI：
--
发表时间：
2007
期刊：
Phil. Mag. (印刷中)
影响因子：
--
作者：
T.Ishimasa;Y.Kasano;A.Tachibana;S.Kashimoto;T.Ishimasa
通讯作者：
T.Ishimasa