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Title: Combined single crystal polarized XAFS and XRD at high pressure: probing the interplay between lattice distortions and electronic order at multiple length scales in high T c cuprates

Abstract

Some of the most exotic material properties derive from electronic states with short correlation length (~10-500 Å), suggesting that the local structural symmetry may play a relevant role in their behavior. In this study, we discuss the combined use of polarized x-ray absorption fine structure and x-ray diffraction at high pressure as a powerful method to tune and probe structural and electronic orders at multiple length scales. Besides addressing some of the technical challenges associated with such experiments, we illustrate this approach with results obtained in the cuprate La 1.875Ba 0.125CuO 4, in which the response of electronic order to pressure can only be understood by probing the structure at the relevant length scales.

Authors:
 [1];  [2];  [2];  [2];  [3]
  1. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Washington Univ., St. Louis, MO (United States). Dept. of Physics; Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.
  3. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division
OSTI Identifier:
1263911
Alternate Identifier(s):
OSTI ID: 1337162
Report Number(s):
BNL-112302-2016-JA
Journal ID: ISSN 0895-7959; R&D Project: PO010; KC0201060
Grant/Contract Number:
SC00112704; AC02-06CH11357; 1047478
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
High Pressure Research
Additional Journal Information:
Journal Name: High Pressure Research; Journal ID: ISSN 0895-7959
Publisher:
Taylor & Francis
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; polarized XAFS; x-ray diffraction; high pressure; cuprates; 73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Citation Formats

Fabbris, G., Hücker, M., Gu, G. D., Tranquada, J. M., and Haskel, D.. Combined single crystal polarized XAFS and XRD at high pressure: probing the interplay between lattice distortions and electronic order at multiple length scales in high T c cuprates. United States: N. p., 2016. Web. doi:10.1080/08957959.2016.1198905.
Fabbris, G., Hücker, M., Gu, G. D., Tranquada, J. M., & Haskel, D.. Combined single crystal polarized XAFS and XRD at high pressure: probing the interplay between lattice distortions and electronic order at multiple length scales in high T c cuprates. United States. doi:10.1080/08957959.2016.1198905.
Fabbris, G., Hücker, M., Gu, G. D., Tranquada, J. M., and Haskel, D.. Thu . "Combined single crystal polarized XAFS and XRD at high pressure: probing the interplay between lattice distortions and electronic order at multiple length scales in high T c cuprates". United States. doi:10.1080/08957959.2016.1198905. https://www.osti.gov/servlets/purl/1263911.
@article{osti_1263911,
title = {Combined single crystal polarized XAFS and XRD at high pressure: probing the interplay between lattice distortions and electronic order at multiple length scales in high T c cuprates},
author = {Fabbris, G. and Hücker, M. and Gu, G. D. and Tranquada, J. M. and Haskel, D.},
abstractNote = {Some of the most exotic material properties derive from electronic states with short correlation length (~10-500 Å), suggesting that the local structural symmetry may play a relevant role in their behavior. In this study, we discuss the combined use of polarized x-ray absorption fine structure and x-ray diffraction at high pressure as a powerful method to tune and probe structural and electronic orders at multiple length scales. Besides addressing some of the technical challenges associated with such experiments, we illustrate this approach with results obtained in the cuprate La1.875Ba0.125CuO4, in which the response of electronic order to pressure can only be understood by probing the structure at the relevant length scales.},
doi = {10.1080/08957959.2016.1198905},
journal = {High Pressure Research},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 14 00:00:00 EDT 2016},
month = {Thu Jul 14 00:00:00 EDT 2016}
}

Journal Article:
Free Publicly Available Full Text
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  • Here, some of the most exotic material properties derive from electronic states with short correlation length (similar to 10-500 Å), suggesting that the local structural symmetry may play a relevant role in their behavior. Here, we discuss the combined use of polarized x-ray absorption fine structure and x-ray diffraction at high pressure as a powerful method to tune and probe structural and electronic orders at multiple length scales. Besides addressing some of the technical challenges associated with such experiments, we illustrate this approach with results obtained in the cuprate La 1.875Ba 0.125CuO 4, in which the response of electronic ordermore » to pressure can only be understood by probing the structure at the relevant length scales.« less
  • We have measured the low-temperature (T) dependence of the anisotropic penetration depth {lambda}(T) of magnetically aligned powders of HgBa{sub 2}Ca {sub n{minus}1}Cu{sub n}O{sub 2n+2+{delta}} (n=1 and 3) down to 1.2K. For both members the T dependence of the in-plane penetration depth {lambda}{sub ab}(T) is strongly linear, whereas the out-of-plane component {lambda}{sub c}(T) , for n=1 and 3, varies as T{sup 5} and T{sup 2} , respectively. For comparison, we also report {lambda}{sub c}(T) data for grain-aligned YBa{sub 2}Cu {sub 3}O{sub 7 {minus}{delta}} ({delta}=0.0 and 0.43) which vary as T and T{sup 2} , respectively. The results are discussed in termsmore » of d{sub x{sup 2}{minus}y{sup 2}}- wave symmetry of the order parameter in cuprates. {copyright} {ital 1997} {ital The American Physical Society}« less
  • We have performed fluorescence x-ray-absorption fine-structure (XAFS) measurements from 20{endash}200 K on a 5000-A {ital c}-axis film of YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} (YBCO) on MgO ({ital T}{sub {ital c}}=89 K) using photons polarized perpendicular to the film. The quality of the data is high out to 16 A{sup {minus}1}. The data from 3{endash}15.5 A{sup {minus}1} were transformed into {ital r} space and fit to a sum of theoretical standards out to 4.0 A. These data are compared to YBCO data from a single crystal and from a film on LaAlO{sub 3} with the same {ital T}{sub {ital c}}. The mainmore » difference between the single crystal and the film data is that while the single-crystal data are well described by a two-site axial oxygen [O(4)] distribution, we see no evidence for such a distribution in either thin-film sample. We place an upper limit on the size of the axial oxygen distribution splitting for the film on MgO at {Delta}{sub {ital r}}{approx_lt}0.09 A. Therefore, the magnitude of any possible splitting is not directly related to {ital T}{sub {ital c}}. Fits to the temperature-dependent data from the YBCO film on MgO indicate that all bonds show a smooth change of their broadening factor {sigma}, except the Cu-O(4) bonds, which show an increase in {sigma} in the vicinity of {ital T}{sub {ital c}}, followed by a decrease of the same magnitude. Such a feature does not occur in diffraction measurements. Since XAFS measurements of {sigma} include any correlation between the atoms in a given bond, we conclude that the O(4) position becomes less correlated with the Cu positions near {ital T}{sub {ital c}}. Correlation measurements of these and several further near neighbors are also reported. {copyright} {ital 1996 The American Physical Society.}« less
  • Starting with the three-band extended Hubbard model (or {ital d-p} model) widely used to represent the CuO{sub 2} planes in the high-{ital T}{sub {ital c}} cuprates, we make a systematic reduction to an effective single-band model using a previously developed cell-perturbation method. The range of parameters for which this mapping is a good approximation is explored in the full Zaanen-Sawatzky-Allen diagram (copper Coulomb repulsion {ital U}{sub {ital d}} versus charge-transfer energy {var_epsilon}), together with an investigation of the validity of mapping to an effective charge-spin ({ital t-J-V}) model. The variation of the effective single-band parameters with the parameters of themore » underlying multi-band model is investigated in detail, and the parameter regime where the model represents the high-{ital T}{sub {ital c}} cuprates is examined for specific features that might distinguish it from the general case. We consider the effect of Coulomb repulsions on oxygen ({ital U}{sub {ital p}}) and between copper and oxygen ({ital V}{sub {ital pd}}). The reduction to an effective single-band model is generally valid for describing the low-energy physics, and that {ital V}{sub {ital pd}} and {ital U}{sub {ital p}} (unless unrealistically large) actually slightly improve the convergence of the cell-perturbation method. Unlike in the usual single-band Hubbard model, the effective intercell hopping and Coulomb interactions are different for electrons and holes. We find that this asymmetry, which vanishes in the extreme Mott-Hubbard regime ({ital U}{sub {ital d}}{lt}{var_epsilon}), is quite appreciable in the charge-transfer regime ({ital U}{sub {ital d}}{approx_gt}{var_epsilon}), particularly for the effective Coulomb interactions. We show that for doped holes (forming Zhang-Rice singlets) on neighboring cells the interaction induced by {ital V}{sub {ital pd}} can be attractive due to locally enhanced {ital pd} hybridization, while this can`t occur for electrons.« less
  • The lanthanide coinage-metal diarsenides LnTAs{sub 2} (Ln=La, Ce-Nd, Sm; T=Ag, Au) have been reinvestigated and their structures have been refined from single crystal X-ray data. Two different distortion variants of the HfCuSi{sub 2} type are found: PrAgAs{sub 2}, NdAgAs{sub 2}, SmAgAs{sub 2}, GdAgAs{sub 2}, TbAgAs{sub 2}, NdAuAs{sub 2} and SmAuAs{sub 2} crystallize as twofold superstructures in space group Pmcn with the As atoms of their planar layers forming zigzag chains, whereas LaAgAs{sub 2}, CeAgAs{sub 2} and PrAuAs{sub 2} adopt a fourfold superstructure (space group Pmca) with cis-trans chains of As atoms. The respective atomic positions can be derived from themore » HfCuSi{sub 2} type by group-subgroup relations. The compounds with zigzag chains of As atoms exhibit metallic behaviour while those with cis-trans chains are semiconducting as measured on powder pellets. The majority of the compounds including 4f elements show antiferromagnetic ordering at T{sub N}<20 K. - Text3: Zigzig vs. cis-trans.« less