Ab initio study of the elastic properties of TiSi2

作者：Wang T; Lee HD^*; Oh SY; Kim YJ; Lee WJ

来源：Materials Science in Semiconductor Processing, 2005, 8(4): 540-544.

DOI：10.1016/j.mssp.2004.12.002

• TiSi2
• ab initio
• elastic properties

Using ab initio plane-wave ultrasoft pseudopotential method based on generalized gradient approximation (GGA), the paper causes some light on the bulk moduli of single crystal C54 and C49 phase TiSi2 and estimates the elastic properties of polycrystalline C54 and C49 phase TiSi2 with Voigt, Reuss and Hill approximations.

• 出版日期2005-8