M. Calleja

most citedOrigin of the colossal positive and negative thermal expansion in Ag

_{3}

[Co(CN)

_{6}

]: an {\it ab initio} Density Functional Theory study

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cond-mat.mtrl-sci2008★ 39 cited

Origin of the colossal positive and negative thermal expansion in Ag $_{3}$ [Co(CN) $_{6}$ ]: an {\it ab initio} Density Functional Theory study

Mark Calleja, Andrew L. Goodwin, Martin T. Dove

DFT calculations have been used to provide insights into the origin of the colossal positive and negative thermal expansion in Ag $_{3}$ [Co(CN) $_{6}]$ . The results confirm that the posi…

Origin of the colossal positive and negative thermal expansion in Ag3​[Co(CN)6​]: an {\it ab initio} Density Functional Theory study

Origin of the colossal positive and negative thermal expansion in Ag $_{3}$ [Co(CN) $_{6}$ ]: an {\it ab initio} Density Functional Theory study