Tailoring chemical bonds to design unconventional glasses - Archive ouverte HAL
Journal Articles Proceedings of the National Academy of Sciences of the United States of America Year : 2024

Tailoring chemical bonds to design unconventional glasses

Abstract

Glasses are commonly described as disordered counterparts of the corresponding crystals; both usually share the same short-range order, but glasses lack long-range order. Here, a quantification of chemical bonding in a series of glasses and their corresponding crystals is performed, employing two quantum-chemical bonding descriptors, the number of electrons transferred and shared between adjacent atoms. For popular glasses like SiO 2 , GeSe 2 , and GeSe, the quantum-chemical bonding descriptors of the glass and the corresponding crystal hardly differ. This explains why these glasses possess a similar short-range order as their crystals. Unconventional glasses, which differ significantly in their short-range order and optical properties from the corresponding crystals are only found in a distinct region of the map spanned by the two bonding descriptors. This region contains crystals of GeTe, Sb 2 Te 3 , and GeSb 2 Te 4 , which employ metavalent bonding. Hence, unconventional glasses are only obtained for solids, whose crystals employ theses peculiar bonds.
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hal-04735868 , version 1 (14-10-2024)

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Jean-Yves Raty, Christophe Bichara, Carl-Friedrich Schön, Carlo Gatti, Matthias Wuttig. Tailoring chemical bonds to design unconventional glasses. Proceedings of the National Academy of Sciences of the United States of America, 2024, 121 (2), ⟨10.1073/pnas.2316498121⟩. ⟨hal-04735868⟩
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