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Title: Local orbital degeneracy lifting as a precursor to an orbital-selective Peierls transition

Abstract

Fundamental electronic principles underlying all transition metal compounds are the symmetry and filling of the d-electron orbitals and the influence of this filling on structural configurations and responses. Here we use a sensitive local structural technique, x-ray atomic pair distribution function analysis, to reveal the presence of fluctuating local-structural distortions at high temperature in one such compound, CuIr 2S 4. We show that this hitherto overlooked fluctuating symmetry-lowering is electronic in origin and will modify the energy-level spectrum and electronic and magnetic properties. The explanation is a local, fluctuating, orbital-degeneracy-lifted state. The natural extension of our result would be that this phenomenon is likely to be widespread amongst diverse classes of partially filled nominally degenerate d-electron systems, with potentially broad implications for our understanding of their properties.

Authors:
ORCiD logo [1];  [1];  [1];  [1];  [2];  [2];  [1];  [1];  [2];  [3]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States); Columbia Univ., New York, NY (United States)
Publication Date:
Research Org.:
Brookhaven National Lab. (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). Materials Sciences & Engineering Division
OSTI Identifier:
1560035
Alternate Identifier(s):
OSTI ID: 1543404
Report Number(s):
BNL-211872-2019-JAAM
Journal ID: ISSN 2041-1723
Grant/Contract Number:  
SC0012704; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 10; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Bozin, Emil S., Yin, W. G., Koch, R. J., Abeykoon, M., Hor, Y. S., Zheng, H., Lei, H. C., Petrovic, C., Mitchell, J. F., and Billinge, S. J. L. Local orbital degeneracy lifting as a precursor to an orbital-selective Peierls transition. United States: N. p., 2019. Web. doi:10.1038/s41467-019-11372-w.
Bozin, Emil S., Yin, W. G., Koch, R. J., Abeykoon, M., Hor, Y. S., Zheng, H., Lei, H. C., Petrovic, C., Mitchell, J. F., & Billinge, S. J. L. Local orbital degeneracy lifting as a precursor to an orbital-selective Peierls transition. United States. doi:10.1038/s41467-019-11372-w.
Bozin, Emil S., Yin, W. G., Koch, R. J., Abeykoon, M., Hor, Y. S., Zheng, H., Lei, H. C., Petrovic, C., Mitchell, J. F., and Billinge, S. J. L. Mon . "Local orbital degeneracy lifting as a precursor to an orbital-selective Peierls transition". United States. doi:10.1038/s41467-019-11372-w. https://www.osti.gov/servlets/purl/1560035.
@article{osti_1560035,
title = {Local orbital degeneracy lifting as a precursor to an orbital-selective Peierls transition},
author = {Bozin, Emil S. and Yin, W. G. and Koch, R. J. and Abeykoon, M. and Hor, Y. S. and Zheng, H. and Lei, H. C. and Petrovic, C. and Mitchell, J. F. and Billinge, S. J. L.},
abstractNote = {Fundamental electronic principles underlying all transition metal compounds are the symmetry and filling of the d-electron orbitals and the influence of this filling on structural configurations and responses. Here we use a sensitive local structural technique, x-ray atomic pair distribution function analysis, to reveal the presence of fluctuating local-structural distortions at high temperature in one such compound, CuIr2S4. We show that this hitherto overlooked fluctuating symmetry-lowering is electronic in origin and will modify the energy-level spectrum and electronic and magnetic properties. The explanation is a local, fluctuating, orbital-degeneracy-lifted state. The natural extension of our result would be that this phenomenon is likely to be widespread amongst diverse classes of partially filled nominally degenerate d-electron systems, with potentially broad implications for our understanding of their properties.},
doi = {10.1038/s41467-019-11372-w},
journal = {Nature Communications},
number = 1,
volume = 10,
place = {United States},
year = {2019},
month = {7}
}

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Works referenced in this record:

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Two-dimensional detector software: From real detector to idealised image or two-theta scan
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