有弹性的性质和在高压力下面的 Fe3C 的健全速度被在密度功能的理论以内使用极化纺纱的概括坡度近似调查。磁性的阶段从地面转移,这被发现铁磁性(FM ) 说到无磁性(NM ) 状态发生在 73 GPa。基于 Fe3C 的预言的 Hugoniot,我们从有弹性的常数计算 FM-Fe3C 和 NM-Fe3C 的健全速度。与纯铁相比, NM-Fe3C 提供更好的匹配有压缩性并且砍有内部核心的地震数据的健全速度,在内部核心作为轻元素之一支持碳。
The elastic property and sound velocity of FeaC under high pressure are investigated by using the spin-polarized generalized gradient approximation within density-functional theory. It is found that the magnetic phase transition from the ground ferromagnetic (FM) state to the nonmagnetic (NM) state occurs at ~73 GPa. Based on the predicted Hugoniot of Fe3C, we calculate the sound velocities of FM-Fe3C and NM-Fe3C from elastic constants. Compared with pure iron, NM-FeaC provides a better match of compressional and shear sound velocities with the seismic data of the inner core, supporting carbon as one of the light elements in the inner core.