Intercalated Cu+ ion dynamics in the two-dimensional layered compound Cu0.33TiSe2
Intercalated Cu+ ion dynamics in the two-dimensional layered compound Cu0.33TiSe2
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DOI：
10.1103/physrevb.101.094108
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发表时间：
2020-03
影响因子：
3.7
通讯作者：
Shunsuke Kitou;T. Hasegawa;Akitoshi Nakano;N. Katayama;S. Tsutsui;H. Sawa
中科院分区：
文献类型：
--
作者：
Shunsuke Kitou;T. Hasegawa;Akitoshi Nakano;N. Katayama;S. Tsutsui;H. Sawa
$\mathrm{C}{\mathrm{u}}^{+}$ 离子行为因其不清楚的行为和在材料应用中的巨大潜力而成为物理和材料领域广泛讨论的主题之一。为了在这一领域取得突破，连接真实空间和倒格子（动量）空间的综合研究是有效的。在这里，我们研究了二维层状系统$\mathrm{C}{\mathrm{u}}_{0.33}\mathrm{TiS}{\mathrm{e}}_{2}$中$\mathrm{C}{\mathrm{u}}^{+}$离子的行为，显示了$\mathrm{C}{\mathrm{u}}^{+}$在200 K时的无序相变。非弹性 X 射线散射揭示了相变时 $\mathrm{C}{\mathrm{u}}^{+}$ 离子动力学的巨大变化。预计复杂的相互作用涉及 $\mathrm{C}{\mathrm{u}}^{+}$ 离子通过电荷转移插入带负电的 $\mathrm{TiS}{\mathrm{e}}_{2}$ 层的行为。然而，蒙特卡罗模拟使用 $\mathrm{C}{\mathrm{u}}^{+}$ 离子之间的排斥力的简单组合很好地再现了各向异性漫散射的特征温度依赖性。这些见解为控制插层系统提供了统一的理解。
$\mathrm{C}{\mathrm{u}}^{+}$ ion behavior is one of the heavily discussed topics in physical and material fields because of its unclear behavior and high potential in materials application. To provide a breakthrough in this field, comprehensive research that connects the real space and the reciprocal lattice (momentum) space is effective. Here, we investigated the $\mathrm{C}{\mathrm{u}}^{+}$ ion behavior in two-dimensional layered system $\mathrm{C}{\mathrm{u}}_{0.33}\mathrm{TiS}{\mathrm{e}}_{2}$, which shows the $\mathrm{C}{\mathrm{u}}^{+}$ disorder-order phase transition at 200 K. Inelastic x-ray scattering revealed a large change of the $\mathrm{C}{\mathrm{u}}^{+}$ ion dynamics at the phase transition. It is expected that the complex interactions are involved in the behavior of $\mathrm{C}{\mathrm{u}}^{+}$ ions intercalated in the negatively charged $\mathrm{TiS}{\mathrm{e}}_{2}$ layers by charge transfer. However, Monte Carlo simulations using a simple combination of repulsive forces between $\mathrm{C}{\mathrm{u}}^{+}$ ions well reproduce the characteristic temperature dependence of the anisotropic diffuse scattering. These insights provide a unified understanding in controlling the intercalated system.