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This content will become publicly available on July 27, 2019

Title: Toward a predictive theory of correlated materials

Correlated electron materials display a rich variety of notable properties ranging from unconventional superconductivity to metal-insulator transitions. These properties are of interest from the point of view of applications but are hard to treat theoretically, as they result from multiple competing energy scales. Although possible in more weakly correlated materials, theoretical design and spectroscopy of strongly correlated electron materials have been a difficult challenge for many years. In this paper, by treating all the relevant energy scales with sufficient accuracy, complementary advances in Green’s functions and quantum Monte Carlo methods open a path to first-principles computational property predictions in this class of materials.
Authors:
ORCiD logo [1] ; ORCiD logo [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computational Sciences and Engineering Division. Center for Nanophase Materials Sciences
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.; Rutgers Univ., Piscataway, NJ (United States). Dept. of Physics and Astronomy
Publication Date:
Grant/Contract Number:
AC05-00OR22725; FG02-99ER45761
Type:
Accepted Manuscript
Journal Name:
Science
Additional Journal Information:
Journal Volume: 361; Journal Issue: 6400; Journal ID: ISSN 0036-8075
Publisher:
AAAS
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Brookhaven National Lab. (BNL), Upton, NY (United States); Rutgers Univ., Piscataway, NJ (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1462849