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Title: Capturing ultrafast photoinduced local structural distortions of BiFeO 3

Abstract

The interaction of light with materials is an intensively studied research forefront, in which the coupling of radiation energy to selective degrees of freedom offers contact-free tuning of functionalities on ultrafast time scales. Capturing the fundamental processes and understanding the mechanism of photoinduced structural rearrangement are essential to applications such as photo-active actuators and efficient photovoltaic devices. Using ultrafast x-ray absorption spectroscopy aided by density functional theory calculations, we reveal the local structural arrangement around the transition metal atom in a unit cell of the photoferroelectric archetype BiFeO 3 film. The out-of-plane elongation of the unit cell is accompanied by the in-plane shrinkage with minimal change of interaxial lattice angles upon photoexcitation. This uniaxial elastic deformation of the unit cell is driven by localized electric field as a result of photoinduced charge separation, in contrast to a global lattice constant increase and lattice angle variations as a result of heating. The finding of a photoinduced elastic unit cell deformation elucidates a microscopic picture of photocarrier-mediated nonequilibrium processes in polar materials.

Authors:
 [1];  [2];  [3];  [4];  [5];  [2];  [1]
  1. Argonne National Lab. (ANL), Argonne, IL (United States)
  2. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  3. Univ. of Science and Technology, Hefei (China)
  4. Cornell Univ., Ithaca, NY (United States)
  5. Cornell Univ., Ithaca, NY (United States). Kavli Inst. for Nanoscale Science, Ithaca, NY (United States)
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
Sponsoring Org.:
USDOE
OSTI Identifier:
1243282
Report Number(s):
PNNL-SA-110895
Journal ID: ISSN 2045-2322; 48274; KC0302060
Grant/Contract Number:
AC05-76RL01830
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 5; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY; Environmental Molecular Sciences Laboratory

Citation Formats

Wen, Haidan, Sassi, Michel JPC, Luo, Zhenlin, Adamo, Carolina, Schlom, Darrell, Rosso, Kevin M., and Zhang, Xiaoyi. Capturing ultrafast photoinduced local structural distortions of BiFeO3. United States: N. p., 2015. Web. doi:10.1038/srep15098.
Wen, Haidan, Sassi, Michel JPC, Luo, Zhenlin, Adamo, Carolina, Schlom, Darrell, Rosso, Kevin M., & Zhang, Xiaoyi. Capturing ultrafast photoinduced local structural distortions of BiFeO3. United States. doi:10.1038/srep15098.
Wen, Haidan, Sassi, Michel JPC, Luo, Zhenlin, Adamo, Carolina, Schlom, Darrell, Rosso, Kevin M., and Zhang, Xiaoyi. Wed . "Capturing ultrafast photoinduced local structural distortions of BiFeO3". United States. doi:10.1038/srep15098. https://www.osti.gov/servlets/purl/1243282.
@article{osti_1243282,
title = {Capturing ultrafast photoinduced local structural distortions of BiFeO3},
author = {Wen, Haidan and Sassi, Michel JPC and Luo, Zhenlin and Adamo, Carolina and Schlom, Darrell and Rosso, Kevin M. and Zhang, Xiaoyi},
abstractNote = {The interaction of light with materials is an intensively studied research forefront, in which the coupling of radiation energy to selective degrees of freedom offers contact-free tuning of functionalities on ultrafast time scales. Capturing the fundamental processes and understanding the mechanism of photoinduced structural rearrangement are essential to applications such as photo-active actuators and efficient photovoltaic devices. Using ultrafast x-ray absorption spectroscopy aided by density functional theory calculations, we reveal the local structural arrangement around the transition metal atom in a unit cell of the photoferroelectric archetype BiFeO3 film. The out-of-plane elongation of the unit cell is accompanied by the in-plane shrinkage with minimal change of interaxial lattice angles upon photoexcitation. This uniaxial elastic deformation of the unit cell is driven by localized electric field as a result of photoinduced charge separation, in contrast to a global lattice constant increase and lattice angle variations as a result of heating. The finding of a photoinduced elastic unit cell deformation elucidates a microscopic picture of photocarrier-mediated nonequilibrium processes in polar materials.},
doi = {10.1038/srep15098},
journal = {Scientific Reports},
number = ,
volume = 5,
place = {United States},
year = {Wed Oct 14 00:00:00 EDT 2015},
month = {Wed Oct 14 00:00:00 EDT 2015}
}

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Free Publicly Available Full Text
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Cited by: 6works
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  • The interaction of light with materials is an intensively studied research forefront, in which the coupling of radiation energy to selective degrees of freedom offers contact-free tuning of functionalities on ultrafast time scales. Capturing the fundamental processes and understanding the mechanism of photoinduced structural rearrangement are essential to applications such as photo-active actuators and efficient photovoltaic devices. Using ultrafast x-ray absorption spectroscopy aided by density functional theory calculations, we reveal the local structural arrangement around the transition metal atom in a unit cell of the photoferroelectric archetype BiFeO 3 film. The out-of-plane elongation of the unit cell is accompanied bymore » the in-plane shrinkage with minimal change of interaxial lattice angles upon photoexcitation. This anisotropic elastic deformation of the unit cell is driven by localized electric field as a result of photoinduced charge separation, in contrast to a global lattice constant increase and lattice angle variations as a result of heating. The finding of a photoinduced elastic unit cell deformation elucidates a microscopic picture of photocarrier-mediated non-equilibrium processes in polar materials.« less
  • The local structure of tetragonal BiFeO{sub 3}-PbTiO{sub 3} solid solutions featuring anomalous lattice distortions has been determined using simultaneous fitting of neutron total scattering and extended X-ray absorption fine structure data. On the local scale, the large tetragonal distortion, promoted by the displacements of the A-cations (Bi and Pb), is accommodated primarily by the [FeO{sub 6}] octahedra, even though both Fe and Ti acquire (5+1)-fold coordination. Bi cations exhibit considerably larger displacements than Pb. The combination of the A-cation displacements and the ability of M-cations to adopt 5-fold coordination is suggested as key for stabilizing the large tetragonality in BiMO{submore » 3}-PbTiO{sub 3} systems.« less
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