Framework flexibility and the negative thermal expansion mechanism of copper(I) oxide Cu2O

Framework flexibility and the negative thermal expansion mechanism of copper(I) oxide Cu2O

The negative thermal expansion (NTE) mechanism in Cu2O has been characterized via mapping of different Cu2O structural flexibility models onto phonons obtained using ab initio lattice dynamics. Low-frequency acoustic modes that are responsible for the NTE in this material correspond to vibrations of...

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Bibliographic Details
Main Authors:	Rimmer, L, Dove, M, Winkler, B, Wilson, D, Refson, K, Goodwin, A
Format:	Journal article
Language:	English
Published:	American Physical Society 2014

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