The origin of incipient ferroelectricity in lead telluride

Jiang, M. P.; Trigo, M.; Savić, I.; Fahy, S.; Murray, É. D.; Bray, C.; Clark, J.; Henighan, T.; Kozina, M.; Chollet, M.; Glownia, J. M.; Hoffmann, M. C.; Zhu, D.; Delaire, O.; May, A. F.; Sales, B. C.; Lindenberg, A. M.; Zalden, P.; Sato, T.; Merlin, R.; Reis, D. A.

doi:10.1038/ncomms12291

Title: The origin of incipient ferroelectricity in lead telluride

Journal Article · 22 July 2016 · Nature Communications

DOI: https://doi.org/10.1038/ncomms12291 · OSTI ID:1326211

Jiang, M. P. ^[1]; Trigo, M. ^[2]; Savić, I. ^[3]; Fahy, S. ^[3]; Murray, É. D. ^[4]; Bray, C. ^[1]; Clark, J. ^[2]; Henighan, T. ^[1]; Kozina, M. ^[1]; Chollet, M. ^[2]; Glownia, J. M. ^[2]; Hoffmann, M. C. ^[2]; Zhu, D. ^[2]; Delaire, O. ^[5]; May, A. F. ^[6]; Sales, B. C. ^[6]; Lindenberg, A. M. ^[1]; Zalden, P. ^[1]; Sato, T. ^[7]; Merlin, R. ^[8] more »

SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Tyndall National Institute, Cork (Ireland); Univ. College Cork, Cork (Ireland)
Tyndall National Institute, Cork (Ireland); Univ. College Cork, Cork (Ireland); Imperial College London, London (United Kingdom)
Duke Univ., Durham, NC (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
RIKEN SPring-8 Center, Hyogo (Japan); The Univ. of Tokyo, Tokyo (Japan)
Univ. of Michigan, Ann Arbor, MI (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Imperial College London, London (United Kingdom)

The interactions between electrons and lattice vibrations are fundamental to materials behaviour. In the case of group IV–VI, V and related materials, these interactions are strong, and the materials exist near electronic and structural phase transitions. The prototypical example is PbTe whose incipient ferroelectric behaviour has been recently associated with large phonon anharmonicity and thermoelectricity. Here we show that it is primarily electron-phonon coupling involving electron states near the band edges that leads to the ferroelectric instability in PbTe. Using a combination of nonequilibrium lattice dynamics measurements and first principles calculations, we find that photoexcitation reduces the Peierls-like electronic instability and reinforces the paraelectric state. This weakens the long-range forces along the cubic direction tied to resonant bonding and low lattice thermal conductivity. Lastly, our results demonstrate how free-electron-laser-based ultrafast X-ray scattering can be utilized to shed light on the microscopic mechanisms that determine materials properties.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-76SF00515; AC05-00OR22725

OSTI ID:: 1326211

Journal Information:: Nature Communications, Journal Name: Nature Communications Vol. 7; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Pressure and temperature dependence of electronic energy levels in PbSe and PbTe Schlüter, M.; Martinez, G.; Cohen, Marvin L. Physical Review B, Vol. 12, Issue 2 https://doi.org/10.1103/physrevb.12.650	journal	July 1975
First-principles indicators of metallicity and cation off-centricity in the IV-VI rocksalt chalcogenides of divalent Ge, Sn, and Pb Waghmare, U. V.; Spaldin, N. A.; Kandpal, H. C. Physical Review B, Vol. 67, Issue 12 https://doi.org/10.1103/physrevb.67.125111	journal	March 2003
Effect of lattice anharmonicity on high-amplitude phonon dynamics in photoexcited bismuth Murray, É. D.; Fritz, D. M.; Wahlstrand, J. K. Physical Review B, Vol. 72, Issue 6 https://doi.org/10.1103/physrevb.72.060301	journal	August 2005
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Optical properties of PbTe and PbSe Ekuma, Chinedu E.; Singh, David J.; Moreno, J. Physical Review B, Vol. 85, Issue 8 https://doi.org/10.1103/physrevb.85.085205	journal	February 2012
Microscopic mechanism of low thermal conductivity in lead telluride Shiga, Takuma; Shiomi, Junichiro; Ma, Jie Physical Review B, Vol. 85, Issue 15 https://doi.org/10.1103/physrevb.85.155203	journal	April 2012
Phonon conduction in PbSe, PbTe, and PbTe 1 − x Se x from first-principles calculations Tian, Zhiting; Garg, Jivtesh; Esfarjani, Keivan Physical Review B, Vol. 85, Issue 18 https://doi.org/10.1103/physrevb.85.184303	journal	May 2012
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Phonon spectroscopy with sub-meV resolution by femtosecond x-ray diffuse scattering Zhu, Diling; Robert, Aymeric; Henighan, Tom Physical Review B, Vol. 92, Issue 5 https://doi.org/10.1103/physrevb.92.054303	journal	August 2015
Resonant squeezing and the anharmonic decay of coherent phonons Fahy, Stephen; Murray, Éamonn D.; Reis, David A. Physical Review B, Vol. 93, Issue 13 https://doi.org/10.1103/physrevb.93.134308	journal	April 2016
Anomalous Lattice Dynamics near the Ferroelectric Instability in PbTe Zhang, Yi; Ke, Xuezhi; Kent, Paul R. C. Physical Review Letters, Vol. 107, Issue 17 https://doi.org/10.1103/physrevlett.107.175503	journal	October 2011
Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics Li, C. W.; Hellman, O.; Ma, J. Physical Review Letters, Vol. 112, Issue 17 https://doi.org/10.1103/physrevlett.112.175501	journal	April 2014
First-Principles Approach to Nonlinear Lattice Dynamics: Anomalous Spectra in PbTe Chen, Yue; Ai, Xinyuan; Marianetti, C. A. Physical Review Letters, Vol. 113, Issue 10 https://doi.org/10.1103/physrevlett.113.105501	journal	September 2014
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Microscopic mechanism of low thermal conductivity in lead-telluride Shiga, Takuma; Shiomi, Junichiro; Ma, Jie arXiv https://doi.org/10.48550/arxiv.1204.0592	text	January 2012
A first-principles approach to nonlinear lattice dynamics: Anomalous spectra in PbTe Chen, Yue; Ai, Xinyuan; Marianetti, C. A. arXiv https://doi.org/10.48550/arxiv.1312.6109	text	January 2013
Phonon Spectroscopy with Sub-meV Resolution by Femtosecond X-ray Diffuse Scattering Zhu, Diling; Robert, Aymeric; Henighan, Tom arXiv https://doi.org/10.48550/arxiv.1504.06655	text	January 2015
Origin of anomalous anharmonic lattice dynamics of lead telluride Shiga, Takuma; Murakami, Takuru; Hori, Takuma Applied Physics Express, Vol. 7, Issue 4 https://doi.org/10.7567/APEX.7.041801	journal	March 2014
Origin of anomalous anharmonic lattice dynamics of lead telluride Shiga, Takuma; Murakami, Takuru; Hori, Takuma Applied Physics Express, Vol. 7, Issue 4 https://doi.org/10.7567/apex.7.041801	journal	March 2014

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