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Title: Phase transformation pathways of ultrafast-laser-irradiated Ln 2 O 3 ( Ln = Er – Lu )

Abstract

Ultrafast laser irradiation causes intense electronic excitations in materials, leading to transient high temperatures and pressures. Here, we show that ultrafast laser irradiation drives an irreversible cubic-to-monoclinic phase transformation in Ln 2O 3 ( Ln = Er – Lu ) , and explore the mechanism by which the phase transformation occurs. A combination of grazing incidence x-ray diffraction and transmission electron microscopy are used to determine the magnitude and depth-dependence of the phase transformation, respectively. Although all compositions undergo the same transformation, their transformation mechanisms differ. The transformation is pressure-driven for Ln = Tm – Lu , consistent with the material's phase behavior under equilibrium conditions. However, the transformation is thermally driven for Ln = Er , revealing that the nonequilibrium conditions of ultrafast laser irradiation can lead to novel transformation pathways. Ab initio molecular-dynamics simulations are used to examine the atomic-scale effects of electronic excitation, showing the production of oxygen Frenkel pairs and the migration of interstitial oxygen to tetrahedrally coordinated constitutional vacancy sites, the first step in a defect-driven phase transformation.

Authors:
 [1];  [1];  [1];  [2];  [2];  [3];  [4];  [1]
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  1. Stanford Univ., CA (United States)
  2. Univ. of California, Berkeley, CA (United States)
  3. Stanford Univ., CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
  4. Univ. of Michigan, Ann Arbor, MI (United States)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States); Energy Frontier Research Centers (EFRC) (United States). Materials Science of Actinides (MSA)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1424744
Alternate Identifier(s):
OSTI ID: 1416424
Grant/Contract Number:  
SC0001089; AC02-76SF00515; AC02-05CH11231; FA9550-16-1-0312; ECCS-1542152
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 97; Journal Issue: 2; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Rittman, Dylan R., Tracy, Cameron L., Chen, Chien-Hung, Solomon, Jonathan M., Asta, Mark, Mao, Wendy L., Yalisove, Steven M., and Ewing, Rodney C. Phase transformation pathways of ultrafast-laser-irradiated Ln2O3(Ln=Er–Lu). United States: N. p., 2018. Web. doi:10.1103/physrevb.97.024104.
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Rittman, Dylan R., Tracy, Cameron L., Chen, Chien-Hung, Solomon, Jonathan M., Asta, Mark, Mao, Wendy L., Yalisove, Steven M., & Ewing, Rodney C. Phase transformation pathways of ultrafast-laser-irradiated Ln2O3(Ln=Er–Lu). United States. doi:10.1103/physrevb.97.024104.
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Rittman, Dylan R., Tracy, Cameron L., Chen, Chien-Hung, Solomon, Jonathan M., Asta, Mark, Mao, Wendy L., Yalisove, Steven M., and Ewing, Rodney C. Wed . "Phase transformation pathways of ultrafast-laser-irradiated Ln2O3(Ln=Er–Lu)". United States. doi:10.1103/physrevb.97.024104. https://www.osti.gov/servlets/purl/1424744.
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@article{osti_1424744,
title = {Phase transformation pathways of ultrafast-laser-irradiated Ln2O3(Ln=Er–Lu)},
author = {Rittman, Dylan R. and Tracy, Cameron L. and Chen, Chien-Hung and Solomon, Jonathan M. and Asta, Mark and Mao, Wendy L. and Yalisove, Steven M. and Ewing, Rodney C.},
abstractNote = {Ultrafast laser irradiation causes intense electronic excitations in materials, leading to transient high temperatures and pressures. Here, we show that ultrafast laser irradiation drives an irreversible cubic-to-monoclinic phase transformation in Ln2O3 ( Ln = Er – Lu ) , and explore the mechanism by which the phase transformation occurs. A combination of grazing incidence x-ray diffraction and transmission electron microscopy are used to determine the magnitude and depth-dependence of the phase transformation, respectively. Although all compositions undergo the same transformation, their transformation mechanisms differ. The transformation is pressure-driven for Ln = Tm – Lu , consistent with the material's phase behavior under equilibrium conditions. However, the transformation is thermally driven for Ln = Er , revealing that the nonequilibrium conditions of ultrafast laser irradiation can lead to novel transformation pathways. Ab initio molecular-dynamics simulations are used to examine the atomic-scale effects of electronic excitation, showing the production of oxygen Frenkel pairs and the migration of interstitial oxygen to tetrahedrally coordinated constitutional vacancy sites, the first step in a defect-driven phase transformation.},
doi = {10.1103/physrevb.97.024104},
journal = {Physical Review B},
issn = {2469-9950},
number = 2,
volume = 97,
place = {United States},
year = {2018},
month = {1}
}
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Journal Article:
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DOI:  10.1103/physrevb.97.024104
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Figures / Tables:

FIG. 1 FIG. 1: High-temperature (top) and high-pressure (bottom) phase diagrams of Ln2O3 materials. Phases are: A type (trigonal P − $3m1$) , B type (monoclinic C2/$m$), C type (face-centered cubic $Ia − 3$) , H type (hexagonal P6 3 / m m c ) , and X type (body-centered cubic Im-3m).more » Dashed lines represent approximate phase boundaries. The high-temperature phase diagram is adapted from Ref. [17]. The high-pressure phase diagram is constructed using data from Refs. [18-28].« less
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