Theoretical investigations on the elastic wave propagation and phonon focusing in AlLi crystal

Theoretical investigations on the elastic wave propagation and phonon focusing in AlLi crystal
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AlLi晶体中弹性波传播和声子聚焦的理论研究

DOI:
10.1016/j.matchemphys.2014.12.006
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发表时间:
2015-02
期刊:
Mater. Chem. Phys
影响因子:
--
通讯作者:
Zhufeng Hou
Zhufeng Hou
中科院分区:
其他
文献类型:
--
作者:
Hongzhi Fu1;Liping Yao1;Juan Fu2;Zhufeng Hou

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在密度泛函理论的框架下,采用广义梯度近似修正的超软赝势研究了AlLi的各向异性和声子聚焦。三维慢度表面的理论计算提供了洞察纵向和横向模式的混合,并显示了声子焦散的起源。由于弹性各向异性晶体中的声子聚焦这一事实,结果可以从声子聚焦的角度进行解释。弹性波在AlLi中的传播受晶格的弹性各向异性的影响。
The anisotropy and phonon focusing of AlLi are investigated using ultrasoft pseudopotentials within the generalized gradient approximation correction in the frame of density functional theory. Theoretical calculation of the three dimensional slowness surfaces gives insights into the mixing of longitudinal and transverse modes and shows the origin of the phonon caustics. The results are explained in terms of phonon focusing due to the fact that in elastically anisotropic crystals. The propagation of elastic waves in AlLi is affected by the elastic anisotropy of the lattice.
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