| DOI | Resolve DOI: https://doi.org/10.1021/jp408666q |
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| Author | Search for: Tse, J.S.; Search for: Hanfland, M.; Search for: Flacau, R.1; Search for: Desgreniers, S.; Search for: Li, Z.; Search for: Mende, K.; Search for: Gilmore, K.; Search for: Nyrow, A.; Search for: Moretti Sala, M.; Search for: Sternemann, C. |
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| Affiliation | - National Research Council of Canada
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| Format | Text, Article |
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| Abstract | X-ray diffraction experiments at 80 K show that when silicon is compressed under hydrostatic conditions the intermediate high-pressure phases are bypassed leading to a direct transformation to the simple hexagonal structure at 17 GPa. A maximum entropy analysis of the diffraction patterns reveals dramatic alterations in the valence electron distribution from tetrahedral covalent bonding to localization in the interstitial sites and along the one-dimensional silicon atom chain running along adjacent hexagonal layers. Changes in the orbital character of the unoccupied states are confirmed using X-ray Raman scattering spectroscopy and theoretical Bethe-Salpeter equation calculations. This is the first direct observation indicating that the silicon valence electrons in 3s and 3p orbitals are transferred to the 3d orbitals at high density which proves that electrons of compressed elemental solids migrate from their native bonding configuration to interstitial regions. © 2013 American Chemical Society. |
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| Publication date | 2014 |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 21270756 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 914fa536-b2bd-4b78-bd86-f82b48d787d2 |
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| Record created | 2014-02-17 |
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| Record modified | 2020-04-22 |
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