Study of Ti2SC under compression up to 47 GPa
Study of Ti2SC under compression up to 47 GPa
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DOI：
10.1016/j.jallcom.2006.10.086
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发表时间：
2008-01
影响因子：
6.2
通讯作者：
S. Kulkarni;R. Vennila;Nishad A. Phatak;S. Saxena;C. Zha;T. El-Raghy;M. Barsoum;W. Luo;R. Ahuja
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文献类型：
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作者：
S. Kulkarni;R. Vennila;Nishad A. Phatak;S. Saxena;C. Zha;T. El-Raghy;M. Barsoum;W. Luo;R. Ahuja
三元层状碳化物 Ti2SC 晶格参数的压力依赖性是通过使用同步辐射 X 射线衍射和金刚石砧室装置来测量的。实验在室温下进行，直至最大压力 47GPa 均未观察到相变。室温下的 a 和 c 晶格参数分别为 3.216Å 和 11.22Å。使用 Birch-Murnaghan 状态方程计算得出的体积模量为 191±3GPa，压力导数为 4.0±0.3，而通过我们的从头计算获得的体积模量为 183GPa，压力导数为 4.1。与大多数三元层状碳化物（MAX 相）一样，沿 c 轴的压缩率高于沿 a 轴的压缩率。
The pressure dependence of the lattice parameters of the ternary layered carbide, Ti2SC, was measured by using synchrotron radiation X-ray diffraction and a diamond anvil cell setup. The experiment was conducted at room temperature and no phase transformation was observed up to the maximum pressure of 47GPa. The a and c lattice parameters at room condition are 3.216Å and 11.22Å, respectively. The bulk modulus, calculated using the Birch–Murnaghan equation of state, is 191±3GPa, with a pressure derivative of 4.0±0.3 and that obtained by our ab initio calculations is 183GPa, with a pressure derivative of 4.1. Like the majority of the ternary layered carbides (MAX phases), compressibility along the c-axis was higher than that along the a-axis.