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Mode Grüneisen parameters and negative thermal expansion of cubic ZrW2O8 and ZrMo2O8

2000; American Institute of Physics; Volume: 76; Issue: 16 Linguagem: Inglês

10.1063/1.126296

1520-8842

Kai Wang, Robert R. Reeber,

Ferroelectric and Piezoelectric Materials

Thermal expansion for ZrW2O8 and ZrMo2O8 is analyzed by a multifrequency Einstein model. Vibrational modes that contribute significantly to the thermal expansion are empirically identified. For ZrW2O8, a negative Grüneisen parameter mode is consistent with the observed Raman spectral peak of 40 cm−1. Experimental confirmation of the results is proposed.