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Title: Negative thermal expansion near two structural quantum phase transitions

Recent experimental work has revealed that the unusually strong, isotropic structural negative thermal expansion in cubic perovskite ionic insulator ScF 3 occurs in excited states above a ground state tuned very near a structural quantum phase transition, posing a question of fundamental interest as to whether this special circumstance is related to the anomalous behavior. To test this hypothesis, we report an elastic and inelastic x-ray scattering study of a second system Hg 2I 2 also tuned near a structural quantum phase transition while retaining stoichiometric composition and high crystallinity. We find similar behavior and significant negative thermal expansion below 100 K for dimensions along the body-centered-tetragonal c axis, bolstering the connection between negative thermal expansion and zero-temperature structural transitions. As a result, we identify the common traits between these systems and propose a set of materials design principles that can guide discovery of newmaterials exhibiting negative thermal expansion
Authors:
 [1] ;  [1] ;  [2] ;  [3] ;  [4] ;  [1]
  1. Univ. of Connecticut, Storrs, CT (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States)
  3. Brimrose Technology Corp., Sparks, MD (United States)
  4. Univ. de Costa Rica, San Jose (Costa Rica); Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Grant/Contract Number:
AC02-06CH11357; SC0016481
Type:
Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 1; Journal Issue: 7; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1419964
Alternate Identifier(s):
OSTI ID: 1413818

Occhialini, Connor A., Handunkanda, Sahan U., Said, Ayman, Trivedi, Sudhir, Guzman-Verri, G. G., and Hancock, Jason N.. Negative thermal expansion near two structural quantum phase transitions. United States: N. p., Web. doi:10.1103/PhysRevMaterials.1.070603.
Occhialini, Connor A., Handunkanda, Sahan U., Said, Ayman, Trivedi, Sudhir, Guzman-Verri, G. G., & Hancock, Jason N.. Negative thermal expansion near two structural quantum phase transitions. United States. doi:10.1103/PhysRevMaterials.1.070603.
Occhialini, Connor A., Handunkanda, Sahan U., Said, Ayman, Trivedi, Sudhir, Guzman-Verri, G. G., and Hancock, Jason N.. 2017. "Negative thermal expansion near two structural quantum phase transitions". United States. doi:10.1103/PhysRevMaterials.1.070603. https://www.osti.gov/servlets/purl/1419964.
@article{osti_1419964,
title = {Negative thermal expansion near two structural quantum phase transitions},
author = {Occhialini, Connor A. and Handunkanda, Sahan U. and Said, Ayman and Trivedi, Sudhir and Guzman-Verri, G. G. and Hancock, Jason N.},
abstractNote = {Recent experimental work has revealed that the unusually strong, isotropic structural negative thermal expansion in cubic perovskite ionic insulator ScF3 occurs in excited states above a ground state tuned very near a structural quantum phase transition, posing a question of fundamental interest as to whether this special circumstance is related to the anomalous behavior. To test this hypothesis, we report an elastic and inelastic x-ray scattering study of a second system Hg2I2 also tuned near a structural quantum phase transition while retaining stoichiometric composition and high crystallinity. We find similar behavior and significant negative thermal expansion below 100 K for dimensions along the body-centered-tetragonal c axis, bolstering the connection between negative thermal expansion and zero-temperature structural transitions. As a result, we identify the common traits between these systems and propose a set of materials design principles that can guide discovery of newmaterials exhibiting negative thermal expansion},
doi = {10.1103/PhysRevMaterials.1.070603},
journal = {Physical Review Materials},
number = 7,
volume = 1,
place = {United States},
year = {2017},
month = {12}
}