Abstract: In harmonic approximation, the phonon dispersion curves for HCP metals beryllium, magnesium and zirconium along the symmetry directions ΓK, KM, ΓM and ΓA were simulated, and the polarization vectors of the vibration states at five different symmetry points were calculated by the modified analytical embedded atom method. And then the vibration characteristics of atoms were discussed. The results showed that the phonon dispersion curves of the metals beryllium, magnesium and zirconium were very similar, but the frequency values were different. The metals had six independent dispersion curves along ΓK, KM and ΓM symmetry directions, and each wave vector corresponded to six vibration states. There were four independent dispersion curves along ΓA direction, and the OT dispersion curve was degenerate from the OT1 and OT2 dispersion curves. Considered same wave vector, the vibration state OT1 were completely polarized in the X direction, and the vibration state OT2 were completely polarized in the Y direction, which belong to two different vibration modes. Similar situations also occured in the AT dispersion curve.
张晓军, 王安祥, 严祥安, 成鹏飞. 六方密排金属晶格振动的改进分析型嵌入原子法研究[J]. 材料导报, 2020, 34(22): 22148-22153.
ZHANG Xiaojun, WANG Anxiang, YAN Xiang'an, CHENG Pengfei. Study of Lattice Vibration for HCP Metals by Modified Analytical Embedded Atom Method. Materials Reports, 2020, 34(22): 22148-22153.
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2020, Vol. 34 
