Origin of the colossal positive and negative thermal expansion in Ag(3)[Co(CN)(6)]: an ab initio density functional theory study
DFT calculations have been used to provide insights into the origin of the colossal positive and negative thermal expansion in Ag3[Co(CN) 6]. The results confirm that the positive expansion within the trigonal basal plane and the negative expansion in the orthogonal direction are coupled due to the...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2008
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