Regensburg 2025 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 9: Poster
MM 9.3: Poster
Monday, March 17, 2025, 18:30–20:30, P1
Pressure-induced hybridization changes in elemental silicon at Mbar pressure — Robin Sakrowski1, Christoph J. Sahle2, •Gordon Scholz1, Leonie Tipp3, Mirco Wahab3, Sindy Fuhrmann3, and Christian Sternmann1 — 1Fakultät Physik / DELTA, Technische Universität Dortmund, Maria-Goeppert-Mayer-Straße 2, 44221, Dortmund, Germany — 2ESRF, The European Synchrotron, 71 Avenue des Martyrs, CS40220, 38043 Grenoble Cedex 9, France — 3Institut für Glas und Glastechnologie, TU Bergakademie Freiberg, Leipziger Straße 28, 09599, Freiberg, Germany
Silicon, a fundamental semiconductor material, undergoes intriguing structural and electronic transformations when subjected to high pressure [1].
These changes are investigated using X-ray Raman scattering (XRS) spectroscopy on pure Si powder loaded into a diamond anvil cell for pressures up to 108 GPa.
The XRS spectra of the Si L2,3-edge are compared with ab-initio theoretical calculations based on the Bethe-Salpeter equation.
Observations include an increase in coordination number from 4-fold to 12-fold and metallization.
Additionally, changes in the occupation probability of d-states under pressure are noted, as silicon valence electrons from the 3s and 3p orbitals are transferred.
This work is supported by the BMBF projects 05K22PE2 and 05K22OF1.
[1] J.S.Tse et al., J. Phys. Chem. C 118, 1161 (2014)
Keywords: Silicon; Phase transitions; X-ray Raman Spectroscopy (XRS); High pressure; Diamond anvil cell