Giant pressure-induced volume collapse in the pyrite mineral MnS 2

Simon A J Kimber, Ashkan Salamat, Shaun R. Evans, Harald Olaf Jeschke, Kaliappan Muthukumar, Milan Tomic, Francesc Salvat-Pujol, Roser Valentí, Maria V. Kaisheva, Ivo Zizak, Tapan Chatterji

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Abstract

Dramatic volume collapses under pressure are fundamental to geochemistry and of increasing importance to fields as diverse as hydrogen storage and high-temperature superconductivity. In transition metal materials, collapses are usually driven by so-called spinstate transitions, the interplay between the single-ion crystal field and the size of the magnetic moment. Here we show that the classical S=52 mineral hauerite (MnS2) undergoes an unprecedented (ΔV∼22 %) collapse driven by a conceptually different magnetic mechanism. Using synchrotron X-ray diffraction we show that cold compression induces the formation of a disordered intermediate. However, using an evolutionary algorithm we predict a new structure with edge-sharing chains. This is confirmed as the thermodynamic ground state using in situ laser heating. We show that magnetism is globally absent in the new phase, as low-spin quantum S=12 moments are quenched by dimerization. Our results show how the emergence of metal-metal bonding can stabilize giant spin-lattice coupling in Earth's minerals.

Original languageEnglish
Pages (from-to)5106-5110
Number of pages5
JournalProceedings of the National Academy of Sciences of the United States of America
Volume111
Issue number14
DOIs
Publication statusPublished - Jan 1 2014
Externally publishedYes

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Cite this

Kimber, S. A. J., Salamat, A., Evans, S. R., Jeschke, H. O., Muthukumar, K., Tomic, M., Salvat-Pujol, F., Valentí, R., Kaisheva, M. V., Zizak, I., & Chatterji, T. (2014). Giant pressure-induced volume collapse in the pyrite mineral MnS 2. Proceedings of the National Academy of Sciences of the United States of America, 111(14), 5106-5110. https://doi.org/10.1073/pnas.1318543111