Origin of anomalous anharmonic lattice dynamics of lead telluride
Publication
, Journal Article
Shiga, T; Murakami, T; Hori, T; Delaire, O; Shiomi, J
Published in: Applied Physics Express
January 1, 2014
The origin of the anomalous anharmonic lattice dynamics of lead telluride is investigated by molecular dynamics simulations with interatomic force constants (IFCs) obtained up to quartic terms from first principles. The calculations reproduce the asymmetry of the radial distribution function and the double peaks of transverse optical phonon previously observed with neutron diffraction and scattering experiments. They are identified to be due to the extremely large nearest-neighbor cubic IFCs in the [100] direction. The outstanding strength of the nearest-neighbor cubic IFCs, compared with the longer-range interactions, explains why the distortion in the radial distribution function is local. © 2014 The Japan Society of Applied Physics.
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Published In
Applied Physics Express
DOI
EISSN
1882-0786
ISSN
1882-0778
Publication Date
January 1, 2014
Volume
7
Issue
4
Related Subject Headings
- Applied Physics
- 51 Physical sciences
- 40 Engineering
- 02 Physical Sciences
Citation
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Shiga, T., Murakami, T., Hori, T., Delaire, O., & Shiomi, J. (2014). Origin of anomalous anharmonic lattice dynamics of lead telluride. Applied Physics Express, 7(4). https://doi.org/10.7567/APEX.7.041801
Shiga, T., T. Murakami, T. Hori, O. Delaire, and J. Shiomi. “Origin of anomalous anharmonic lattice dynamics of lead telluride.” Applied Physics Express 7, no. 4 (January 1, 2014). https://doi.org/10.7567/APEX.7.041801.
Shiga T, Murakami T, Hori T, Delaire O, Shiomi J. Origin of anomalous anharmonic lattice dynamics of lead telluride. Applied Physics Express. 2014 Jan 1;7(4).
Shiga, T., et al. “Origin of anomalous anharmonic lattice dynamics of lead telluride.” Applied Physics Express, vol. 7, no. 4, Jan. 2014. Scopus, doi:10.7567/APEX.7.041801.
Shiga T, Murakami T, Hori T, Delaire O, Shiomi J. Origin of anomalous anharmonic lattice dynamics of lead telluride. Applied Physics Express. 2014 Jan 1;7(4).
Published In
Applied Physics Express
DOI
EISSN
1882-0786
ISSN
1882-0778
Publication Date
January 1, 2014
Volume
7
Issue
4
Related Subject Headings
- Applied Physics
- 51 Physical sciences
- 40 Engineering
- 02 Physical Sciences