An ab initio study of the compressional behavior of forsterite

被引:0
|
作者
Brodholt, J [1 ]
Patel, A [1 ]
Refson, K [1 ]
机构
[1] UNIV OXFORD, DEPT EARTH SCI, OXFORD OX1 3PR, ENGLAND
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D O I
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中图分类号
P3 [地球物理学]; P59 [地球化学];
学科分类号
0708 ; 070902 ;
摘要
Ab initio calculations using the local density approximation and pseudopotentials were made on forsterite from 0 to 700 kbar. Our calculations are generally consistent with almost all the experimental cell-parameter and bond-length data. In contrast to some experimental data, however, we find no evidence for abrupt changes in compressional mechanism at any pressure.
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页码:257 / 260
页数:4
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