Stability of CrSi2 grown from the melt -: art. no. 012106

被引：1

作者：

Ackland, GJ

机构：

[1] Univ Edinburgh, Sch Phys, Edinburgh EH9 3JZ, Midlothian, Scotland

[2] Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3JZ, Midlothian, Scotland

来源：

PHYSICAL REVIEW B | 2005年 / 71卷 / 01期

关键词：

D O I：

10.1103/PhysRevB.71.012106

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

In a recent paper it was shown that density-functional calculations predicted that a putative C11(b) crystal structure of CrSi2 should be more stable than the observed C40 structure. This echoes the situation in SiC, where cubic stacking at the surface is favored over the stable bulk hexagonal structure. To investigate these similarities further, calculations have been done on stacking faults at the surface of CrSi2. These show that while the surface energy of C40 is lower than C11(b), this is not sufficient to account for its stability.

引用

页数：2

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