Probing the structural and electronic response of Magnus green salt compounds [Pt(NH2R)4][PtCl4] (R = H, CH3) to pressure

Jonathan G Richardson, Helen Benjamin, Stephen A Moggach, Lisette R Warren, Mark R Warren, David R Allan, Lucy K Saunders, Carole A Morrison, Neil Robertson

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Abstract

Despite possessing the desirable crystal packing and short PtPt stacking distances required for a large piezoresistive response, the conductivity-pressure response of the Magnus green salt [Pt(NH3)4][PtCl4] is extremely sluggish. Through a combination of high-pressure X-ray diffraction and hybrid-DFT solid state calculations this study demonstrates that the poor conductivity-pressure response is due to a low volumetric compression anisotropy, a relatively large ambient pressure band gap and a lack of dispersion in the conduction band. Ligand modification (from NH3 to NH2CH3) does not enhance the piezoresistive response, causing even lower anisotropy of the volumetric compression and an unexpected phase transition at above 2 GPa. This study demonstrates that consideration of frontier band dispersion is a key design criterion, alongside crystal packing and PtPt stacking distances, for piezoresistive materials.

Original languageEnglish
Pages (from-to)17668-17676
Number of pages9
JournalPhysical Chemistry Chemical Physics
Volume22
Issue number31
DOIs
Publication statusPublished - 21 Aug 2020

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    Richardson, J. G., Benjamin, H., Moggach, S. A., Warren, L. R., Warren, M. R., Allan, D. R., Saunders, L. K., Morrison, C. A., & Robertson, N. (2020). Probing the structural and electronic response of Magnus green salt compounds [Pt(NH2R)4][PtCl4] (R = H, CH3) to pressure. Physical Chemistry Chemical Physics, 22(31), 17668-17676. https://doi.org/10.1039/d0cp03280h