Negative thermal expansion near two structural quantum phase transitions

Occhialini, Connor A.; Handunkanda, Sahan U.; Said, Ayman; Trivedi, Sudhir; Guzman-Verri, G. G.; Hancock, Jason N.

doi:10.1103/PhysRevMaterials.1.070603

Title: Negative thermal expansion near two structural quantum phase transitions

Journal Article · Mon Dec 18 00:00:00 EST 2017 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.1.070603· OSTI ID:1419964

Occhialini, Connor A. ^[1]; Handunkanda, Sahan U. ^[1]; Said, Ayman ^[2]; Trivedi, Sudhir ^[3]; Guzman-Verri, G. G. ^[4]; Hancock, Jason N. ^[1]

Univ. of Connecticut, Storrs, CT (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Brimrose Technology Corp., Sparks, MD (United States)
Univ. de Costa Rica, San Jose (Costa Rica); Argonne National Lab. (ANL), Argonne, IL (United States)

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

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; SC0016481

OSTI ID:: 1419964

Alternate ID(s):: OSTI ID: 1413818

Journal Information:: Physical Review Materials, Vol. 1, Issue 7; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 12 works

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Infrared lattice dynamics in negative thermal expansion material in single-crystal ScF ₃ Handunkanda, Sahan U.; Curry, Erin B.; Voronov, Vladimir Journal of Physics: Condensed Matter, Vol. 32, Issue 3 https://doi.org/10.1088/1361-648x/ab4955	journal	October 2019
Negative Thermal Expansion Near the Precipice of Structural Stability in Open Perovskites Occhialini, Connor A.; Guzmán-Verri, Gian G.; Handunkanda, Sahan U. Frontiers in Chemistry, Vol. 6 https://doi.org/10.3389/fchem.2018.00545	journal	November 2018
Negative thermal expansion near the precipice of structural stability in open perovskites Occhialini, Connor A.; Guzmán-Verri, G. G.; Handunkanda, Sahan U. arXiv https://doi.org/10.48550/arxiv.1809.11040	text	January 2018