科研之友
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摘要
In order to understand the improved glass formation ability of bulk metallic glass due to Si doping, several structures were obtained by means of density functional theory. The results indicate that Si enters mainly as a substitute for P in the clusters, inducing a shoving effect in the P-P random network, The corresponding electronic properties indicate an enhanced cluster stabilization due to an electronic mechanism, which reduces the density of states at the Fermi level.
- 出版日期2015-2-1
