Effects of impurities on the lattice dynamics of nanocrystalline silicon for thermoelectric application

Tania Claudio; Gabi Schierning; Ralf Theissmann; Hartmut Wiggers; Helmut Schober; Michael Marek Koza; Raphaël P. Hermann

doi:10.1007/s10853-012-6827-y

Effects of impurities on the lattice dynamics of nanocrystalline silicon for thermoelectric application

Tania Claudio, Gabi Schierning, Ralf Theissmann, Hartmut Wiggers, Helmut Schober, Michael Marek Koza, Raphaël P. Hermann

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25 Scopus citations

Abstract

Doped silicon nanoparticles were exposed to air and sintered to form nanocrystalline silicon. The composition, microstructure, and structural defects were investigated with TEM, XRD, and PDF and the lattice dynamics was evaluated with measurements of the heat capacity, of the elastic constants with resonant ultrasound spectroscopy and of the density of phonon states (DPS) with inelastic neutron scattering. The results were combined and reveal that the samples contain a large amount of silicon dioxide and exhibit properties that deviate from bulk silicon. Both in the reduced DPS and in the heat capacity a Boson peak at low energies, characteristic of amorphous SiO₂, is observed. The thermal conductivity is strongly reduced due to nanostructuration and the incorporation of impurities.

Original language	English
Pages (from-to)	2836-2845
Number of pages	10
Journal	Journal of Materials Science
Volume	48
Issue number	7
DOIs	https://doi.org/10.1007/s10853-012-6827-y
State	Published - Apr 2013
Externally published	Yes

Funding

Acknowledgements The Institute Laue-Langevin (ILL—Grenoble, France) and the Advanced Photon Source (APS) at Argonne National Laboratory are acknowledged for neutron and synchrotron radiation beam time, respectively. The Helmholtz Gemeinschaft Deutscher Forschungszentren is acknowledged for funding VH NG-407 ‘‘Lattice dynamics in emerging functional materials.’’ Z. Wang and J.E. Alaniz from UC Riverside are kindly acknowledged for sharing their data on thermal conductivity of nanocrystalline Si. D. Weber is acknowledged for scientific input and programming and S. Disch is acknowledged for helpful input for the PDF data analysis.

Funders	Funder number
Helmholtz Gemeinschaft Deutscher Forschungszentren	VH NG-407

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abstract = "Doped silicon nanoparticles were exposed to air and sintered to form nanocrystalline silicon. The composition, microstructure, and structural defects were investigated with TEM, XRD, and PDF and the lattice dynamics was evaluated with measurements of the heat capacity, of the elastic constants with resonant ultrasound spectroscopy and of the density of phonon states (DPS) with inelastic neutron scattering. The results were combined and reveal that the samples contain a large amount of silicon dioxide and exhibit properties that deviate from bulk silicon. Both in the reduced DPS and in the heat capacity a Boson peak at low energies, characteristic of amorphous SiO2, is observed. The thermal conductivity is strongly reduced due to nanostructuration and the incorporation of impurities.",

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AU - Claudio, Tania

AU - Schierning, Gabi

AU - Theissmann, Ralf

AU - Wiggers, Hartmut

AU - Schober, Helmut

AU - Koza, Michael Marek

AU - Hermann, Raphaël P.

PY - 2013/4

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AB - Doped silicon nanoparticles were exposed to air and sintered to form nanocrystalline silicon. The composition, microstructure, and structural defects were investigated with TEM, XRD, and PDF and the lattice dynamics was evaluated with measurements of the heat capacity, of the elastic constants with resonant ultrasound spectroscopy and of the density of phonon states (DPS) with inelastic neutron scattering. The results were combined and reveal that the samples contain a large amount of silicon dioxide and exhibit properties that deviate from bulk silicon. Both in the reduced DPS and in the heat capacity a Boson peak at low energies, characteristic of amorphous SiO2, is observed. The thermal conductivity is strongly reduced due to nanostructuration and the incorporation of impurities.

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Effects of impurities on the lattice dynamics of nanocrystalline silicon for thermoelectric application

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