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Title: Theoretical understanding of photon spectroscopies in correlated materials in and out of equilibrium

Abstract

Photon-based spectroscopies have had a significant impact on both fundamental science and applications by providing an efficient approach to investigate the microscopic physics of materials. Together with the development of synchrotron X-ray techniques, theoretical understanding of the spectroscopies themselves and the underlying physics that they reveal has progressed through advances in numerical methods and scientific computing. In this Review, we provide an overview of theories for angle-resolved photoemission spectroscopy and resonant inelastic X-ray scattering applied to quantum materials. First, we discuss methods for studying equilibrium spectroscopies, including first-principles approaches, numerical many-body methods and a few analytical advances. Second, we assess the recent development of ultrafast techniques for out-of-equilibrium spectroscopies, from characterizing equilibrium properties to generating transient or metastable states, mainly from a theoretical point of view. Lastly, we identify the main challenges and provide an outlook for the future direction of the field.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [3];  [3];  [3];  [3]
  1. Harvard Univ., Cambridge, MA (United States)
  2. The Flatiron Institute, New York, NY (United States)
  3. SLAC National Lab. and Stanford Univ., Menlo Park, CA (United States)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1475486
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Accepted Manuscript
Journal Name:
Nature Reviews. Materials
Additional Journal Information:
Journal Volume: 3; Journal Issue: 9; Journal ID: ISSN 2058-8437
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Wang, Yao, Claassen, Martin, Pemmaraju, Chaitanya Das, Jia, Chunjing, Moritz, Brian, and Devereaux, Thomas P. Theoretical understanding of photon spectroscopies in correlated materials in and out of equilibrium. United States: N. p., 2018. Web. doi:10.1038/s41578-018-0046-3.
Wang, Yao, Claassen, Martin, Pemmaraju, Chaitanya Das, Jia, Chunjing, Moritz, Brian, & Devereaux, Thomas P. Theoretical understanding of photon spectroscopies in correlated materials in and out of equilibrium. United States. doi:10.1038/s41578-018-0046-3.
Wang, Yao, Claassen, Martin, Pemmaraju, Chaitanya Das, Jia, Chunjing, Moritz, Brian, and Devereaux, Thomas P. Wed . "Theoretical understanding of photon spectroscopies in correlated materials in and out of equilibrium". United States. doi:10.1038/s41578-018-0046-3. https://www.osti.gov/servlets/purl/1475486.
@article{osti_1475486,
title = {Theoretical understanding of photon spectroscopies in correlated materials in and out of equilibrium},
author = {Wang, Yao and Claassen, Martin and Pemmaraju, Chaitanya Das and Jia, Chunjing and Moritz, Brian and Devereaux, Thomas P.},
abstractNote = {Photon-based spectroscopies have had a significant impact on both fundamental science and applications by providing an efficient approach to investigate the microscopic physics of materials. Together with the development of synchrotron X-ray techniques, theoretical understanding of the spectroscopies themselves and the underlying physics that they reveal has progressed through advances in numerical methods and scientific computing. In this Review, we provide an overview of theories for angle-resolved photoemission spectroscopy and resonant inelastic X-ray scattering applied to quantum materials. First, we discuss methods for studying equilibrium spectroscopies, including first-principles approaches, numerical many-body methods and a few analytical advances. Second, we assess the recent development of ultrafast techniques for out-of-equilibrium spectroscopies, from characterizing equilibrium properties to generating transient or metastable states, mainly from a theoretical point of view. Lastly, we identify the main challenges and provide an outlook for the future direction of the field.},
doi = {10.1038/s41578-018-0046-3},
journal = {Nature Reviews. Materials},
number = 9,
volume = 3,
place = {United States},
year = {2018},
month = {8}
}

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