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Title: The origin of incipient ferroelectricity in lead telluride

Journal Article · · Nature Communications
DOI:https://doi.org/10.1038/ncomms12291· OSTI ID:1326211
 [1];  [2];  [3];  [3];  [4];  [1];  [2];  [1];  [1];  [2];  [2];  [2];  [2];  [5];  [6];  [6];  [1];  [1];  [7];  [8] more »;  [9] « less
  1. SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
  2. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  3. Tyndall National Institute, Cork (Ireland); Univ. College Cork, Cork (Ireland)
  4. Tyndall National Institute, Cork (Ireland); Univ. College Cork, Cork (Ireland); Imperial College London, London (United Kingdom)
  5. Duke Univ., Durham, NC (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  6. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  7. RIKEN SPring-8 Center, Hyogo (Japan); The Univ. of Tokyo, Tokyo (Japan)
  8. Univ. of Michigan, Ann Arbor, MI (United States)
  9. 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 behavior. 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 behavior 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.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
AC02-76SF00515; AC05-00OR22725
OSTI ID:
1326211
Alternate ID(s):
OSTI ID: 1329161
Journal Information:
Nature Communications, Vol. 7; ISSN 2041-1723
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 39 works
Citation information provided by
Web of Science

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Cited By (16)

Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe journal February 2019
Probing dynamics in quantum materials with femtosecond X-rays journal June 2018
Incipient Metals: Functional Materials with a Unique Bonding Mechanism journal October 2018
Temperature effects on the electronic band structure of PbTe from first principles journal May 2019
Manipulation of Phonon Transport in Thermoelectrics journal February 2018
Short-wavelength free-electron laser sources and science: a review text January 2017
Thermal expansion in insulating solids from first principles journal November 2019
Engineering ferroelectric instability to achieve ultralow thermal conductivity and high thermoelectric performance in Sn 1−x Ge x Te journal January 2019
Atomic-scale imaging of ultrafast materials dynamics journal July 2018
Scientific instrument Femtosecond X-ray Experiments (FXE): instrumentation and baseline experimental capabilities journal August 2019
Intrinsic localized mode and low thermal conductivity of PbSe journal January 2017
Recent Developments in Ultrafast X-ray Techniques for Materials Science Applications journal September 2016
Incipient Metals: Functional Materials with a Unique Bonding Mechanism text January 2018
Short-wavelength free-electron laser sources and science: a review journal October 2017
Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe text January 2018
Thermal Expansion in Insulating Solids From First Principles text January 2019