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Title: Direct imaging of orbitals in quantum materials

Abstract

The electronic states of quantum materials based on transition-metal, rare-earth and actinide elements are dominated by electrons in the d and f orbitals intertwined with the strong band formation of the solid. Until now, to estimate which specific orbitals contribute to the ground state and thereby determine their physical properties we have had to rely on theoretical calculations combined with spectroscopy. Here, we show that s-core-level non-resonant inelastic X-ray scattering can directly image the active orbital in real space, without the necessity for any modelling. The power and accuracy of this new technique is shown using the textbook example, x 2-y 2/3z 2-r 2 orbital of the Ni 2+ ion in NiO single crystal.

Authors:
 [1];  [2];  [3]; ORCiD logo [2];  [2];  [1]; ORCiD logo [4]; ORCiD logo [5]
  1. Max Planck Inst. for Chemical Physics of Solids, Dresden (Germany); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  2. Max Planck Inst. for Chemical Physics of Solids, Dresden (Germany); Univ. of Cologne (Germany)
  3. Univ. of Cologne (Germany)
  4. Heidelberg Univ. (Germany). Inst. for Theoretische Physik
  5. Max Planck Inst. for Chemical Physics of Solids, Dresden (Germany)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1532477
Grant/Contract Number:  
AC02-76SF00515; SE1441-4-1
Resource Type:
Accepted Manuscript
Journal Name:
Nature Physics
Additional Journal Information:
Journal Volume: 15; Journal Issue: 6; Journal ID: ISSN 1745-2473
Publisher:
Nature Publishing Group (NPG)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE

Citation Formats

Yavaş, Hasan, Sundermann, Martin, Chen, Kai, Amorese, Andrea, Severing, Andrea, Gretarsson, Hlynur, Haverkort, Maurits W., and Tjeng, Liu Hao. Direct imaging of orbitals in quantum materials. United States: N. p., 2019. Web. doi:10.1038/s41567-019-0471-2.
Yavaş, Hasan, Sundermann, Martin, Chen, Kai, Amorese, Andrea, Severing, Andrea, Gretarsson, Hlynur, Haverkort, Maurits W., & Tjeng, Liu Hao. Direct imaging of orbitals in quantum materials. United States. doi:10.1038/s41567-019-0471-2.
Yavaş, Hasan, Sundermann, Martin, Chen, Kai, Amorese, Andrea, Severing, Andrea, Gretarsson, Hlynur, Haverkort, Maurits W., and Tjeng, Liu Hao. Mon . "Direct imaging of orbitals in quantum materials". United States. doi:10.1038/s41567-019-0471-2.
@article{osti_1532477,
title = {Direct imaging of orbitals in quantum materials},
author = {Yavaş, Hasan and Sundermann, Martin and Chen, Kai and Amorese, Andrea and Severing, Andrea and Gretarsson, Hlynur and Haverkort, Maurits W. and Tjeng, Liu Hao},
abstractNote = {The electronic states of quantum materials based on transition-metal, rare-earth and actinide elements are dominated by electrons in the d and f orbitals intertwined with the strong band formation of the solid. Until now, to estimate which specific orbitals contribute to the ground state and thereby determine their physical properties we have had to rely on theoretical calculations combined with spectroscopy. Here, we show that s-core-level non-resonant inelastic X-ray scattering can directly image the active orbital in real space, without the necessity for any modelling. The power and accuracy of this new technique is shown using the textbook example, x2-y2/3z2-r2 orbital of the Ni2+ ion in NiO single crystal.},
doi = {10.1038/s41567-019-0471-2},
journal = {Nature Physics},
number = 6,
volume = 15,
place = {United States},
year = {2019},
month = {3}
}

Journal Article:
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This content will become publicly available on March 25, 2020
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