skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Negative Thermal Expansion Near the Precipice of Structural Stability in Open Perovskites

Abstract

Negative thermal expansion (NTE) describes the anomalous propensity of materials to shrink when heated. Since its discovery, the NTE effect has been found in a wide variety of materials with an array of magnetic, electronic and structural properties. In some cases, the NTE originates from phase competition arising from the electronic or magnetic degrees of freedom but we here focus on a particular class of NTE which originates from intrinsic dynamical origins related to the lattice degrees of freedom, a property we term structural negative thermal expansion (SNTE). Here we review some select cases of NTE which strictly arise from anharmonic phonon dynamics, with a focus on open perovskite lattices. We find that NTE is often present close in proximity to competing structural phases, with structural phase transition lines terminating near T=0 K yielding the most prominent displays of the SNTE effect. We further provide a theoretical model to make precise the proposed relationship among the signature behavior of SNTE, the proximity of these systems to structural quantum phase transitions and the effects of phase fluctuations near these unique regions of the structural phase diagram. Thus, the effects of compositional disorder on NTE and structural phase stability in perovskites aremore » discussed.« less

Authors:
 [1];  [2];  [3];  [3]
  1. Univ. of Connecticut, Storrs, CT (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
  2. Univ. of Costa Rica, San José (Costa Rica); Argonne National Lab. (ANL), Lemont, IL (United States)
  3. Univ. of Connecticut, Storrs, CT (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1502811
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Frontiers in Chemistry
Additional Journal Information:
Journal Volume: 6; Journal ID: ISSN 2296-2646
Publisher:
Frontiers Research Foundation
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; antiferrodistortive phase transition; negative thermal expansion; perovskite; quantum phase transition; scandium trifluoride; structural negative thermal expansion; structural phase transition

Citation Formats

Occhialini, Connor A., Guzmán-Verri, Gian G., Handunkanda, Sahan U., and Hancock, Jason N.. Negative Thermal Expansion Near the Precipice of Structural Stability in Open Perovskites. United States: N. p., 2018. Web. doi:10.3389/fchem.2018.00545.
Occhialini, Connor A., Guzmán-Verri, Gian G., Handunkanda, Sahan U., & Hancock, Jason N.. Negative Thermal Expansion Near the Precipice of Structural Stability in Open Perovskites. United States. doi:10.3389/fchem.2018.00545.
Occhialini, Connor A., Guzmán-Verri, Gian G., Handunkanda, Sahan U., and Hancock, Jason N.. Tue . "Negative Thermal Expansion Near the Precipice of Structural Stability in Open Perovskites". United States. doi:10.3389/fchem.2018.00545. https://www.osti.gov/servlets/purl/1502811.
@article{osti_1502811,
title = {Negative Thermal Expansion Near the Precipice of Structural Stability in Open Perovskites},
author = {Occhialini, Connor A. and Guzmán-Verri, Gian G. and Handunkanda, Sahan U. and Hancock, Jason N.},
abstractNote = {Negative thermal expansion (NTE) describes the anomalous propensity of materials to shrink when heated. Since its discovery, the NTE effect has been found in a wide variety of materials with an array of magnetic, electronic and structural properties. In some cases, the NTE originates from phase competition arising from the electronic or magnetic degrees of freedom but we here focus on a particular class of NTE which originates from intrinsic dynamical origins related to the lattice degrees of freedom, a property we term structural negative thermal expansion (SNTE). Here we review some select cases of NTE which strictly arise from anharmonic phonon dynamics, with a focus on open perovskite lattices. We find that NTE is often present close in proximity to competing structural phases, with structural phase transition lines terminating near T=0 K yielding the most prominent displays of the SNTE effect. We further provide a theoretical model to make precise the proposed relationship among the signature behavior of SNTE, the proximity of these systems to structural quantum phase transitions and the effects of phase fluctuations near these unique regions of the structural phase diagram. Thus, the effects of compositional disorder on NTE and structural phase stability in perovskites are discussed.},
doi = {10.3389/fchem.2018.00545},
journal = {Frontiers in Chemistry},
issn = {2296-2646},
number = ,
volume = 6,
place = {United States},
year = {2018},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Save / Share: