Stacking-fault structure explains unusual elasticity of nanocrystalline diamonds
Stacking-fault structure explains unusual elasticity of nanocrystalline diamonds
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DOI：
10.1063/1.3077124
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发表时间：
2009-01
影响因子：
4
通讯作者：
Hiroshi Tanei;K. Tanigaki;K. Kusakabe;H. Ogi;N. Nakamura;M. Hirao
中科院分区：
文献类型：
--
作者：
Hiroshi Tanei;K. Tanigaki;K. Kusakabe;H. Ogi;N. Nakamura;M. Hirao
这封信表明，纳米晶金刚石的异常弹性始终是通过金刚石晶粒内部的堆垛层错来解释的，而不是石墨板夹杂物，这是唯一可能的机制。从头计算表明，金刚石结构中引入的堆垛层错表现为石墨sp2键，并且根据应变-能量关系计算出的弹性常数与声学测量结果一致。
This letter reveals that unusual elasticity of nanocrystalline diamond is consistently explained by stacking fault inside the diamond grains instead of the graphitic plate inclusion, which was only possible mechanism. Ab initio calculation shows that stacking fault introduced in the diamond structure behaves as graphitic sp2 bonds, and the elastic constants calculated from the strain-energy relationship agree with the acoustic measurements.