Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550, USA.
The University of Edinburgh, Mayfield Road, Edinburgh EH9 3JZ, United Kingdom.
Phys Rev Lett. 2015 Aug 14;115(7):075502. doi: 10.1103/PhysRevLett.115.075502. Epub 2015 Aug 12.
We report direct in situ measurements of the crystal structure of tin between 0.12 and 1.2 TPa, the highest stress at which a crystal structure has ever been observed. Using angle-dispersive powder x-ray diffraction, we find that dynamically compressed Sn transforms to the body-centered-cubic (bcc) structure previously identified by ambient-temperature quasistatic-compression studies and by zero-kelvin density-functional theory predictions between 0.06 and 0.16 TPa. However, we observe no evidence for the hexagonal close-packed (hcp) phase found by those studies to be stable above 0.16 TPa. Instead, our results are consistent with bcc up to 1.2 TPa. We conjecture that at high temperature bcc is stabilized relative to hcp due to differences in vibrational free energy.
我们报告了锡的晶体结构在 0.12 到 1.2TPa 之间的直接原位测量,这是迄今为止观察到的最高压力。通过角度色散粉末 X 射线衍射,我们发现动态压缩的 Sn 转变为体心立方(bcc)结构,这一结构先前通过环境温度准静态压缩研究和零开尔文密度泛函理论预测在 0.06 到 0.16TPa 之间被确定。然而,我们没有发现那些研究中发现的在 0.16TPa 以上稳定的六方密排(hcp)相的证据。相反,我们的结果与 bcc 一致,直到 1.2TPa。我们推测,在高温下,由于振动自由能的差异,bcc 相对于 hcp 更稳定。