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Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder

Publication ,  Journal Article
Delaire, O; Marty, K; Stone, MB; Kent, PRC; Lucas, MS; Abernathy, DL; Mandrus, D; Sales, BC
Published in: Proceedings of the National Academy of Sciences of the United States of America
March 22, 2011

The vibrations of ions in solids at finite temperature depend on interatomic force-constants that result from electrostatic interactions between ions, and the response of the electron density to atomic displacements. At high temperatures, vibration amplitudes are substantial, and electronic states are affected, thus modifying the screening properties of the electron density. By combining inelastic neutron scattering measurements of Fe1-xCo xSi as a function of temperature, and finite-temperature first-principles calculations including thermal disorder effects, we show that the coupling between phonons and electronic structure results in an anomalous temperature dependence of phonons. The strong concomitant renormalization of the electronic structure induces the semiconductor-to-metal transition that occurs with increasing temperature in FeSi. Our results show that for systems with rapidly changing electronic densities of states at the Fermi level, there are likely to be significant phonon-electron interactions, resulting in anomalous temperature-dependent properties.

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Published In

Proceedings of the National Academy of Sciences of the United States of America

DOI

EISSN

1091-6490

ISSN

0027-8424

Publication Date

March 22, 2011

Volume

108

Issue

12

Start / End Page

4725 / 4730
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Delaire, O., Marty, K., Stone, M. B., Kent, P. R. C., Lucas, M. S., Abernathy, D. L., … Sales, B. C. (2011). Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder. Proceedings of the National Academy of Sciences of the United States of America, 108(12), 4725–4730. https://doi.org/10.1073/pnas.1014869108
Delaire, O., K. Marty, M. B. Stone, P. R. C. Kent, M. S. Lucas, D. L. Abernathy, D. Mandrus, and B. C. Sales. “Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder.” Proceedings of the National Academy of Sciences of the United States of America 108, no. 12 (March 22, 2011): 4725–30. https://doi.org/10.1073/pnas.1014869108.
Delaire O, Marty K, Stone MB, Kent PRC, Lucas MS, Abernathy DL, et al. Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder. Proceedings of the National Academy of Sciences of the United States of America. 2011 Mar 22;108(12):4725–30.
Delaire, O., et al. “Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder.” Proceedings of the National Academy of Sciences of the United States of America, vol. 108, no. 12, Mar. 2011, pp. 4725–30. Scopus, doi:10.1073/pnas.1014869108.
Delaire O, Marty K, Stone MB, Kent PRC, Lucas MS, Abernathy DL, Mandrus D, Sales BC. Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder. Proceedings of the National Academy of Sciences of the United States of America. 2011 Mar 22;108(12):4725–4730.
Journal cover image

Published In

Proceedings of the National Academy of Sciences of the United States of America

DOI

EISSN

1091-6490

ISSN

0027-8424

Publication Date

March 22, 2011

Volume

108

Issue

12

Start / End Page

4725 / 4730