Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA

Document Details

Document Type
Pub Defense Publication
Publication Date
Jul 24, 2017
Source ID
10.1103/physrevb.96.035143

Entities

People

  • Jianwei Sun
  • John Perdew
  • Xifan Wu
  • Yubo Zhang

Organizations

  • Air Force Office of Scientific Research
  • National Science Foundation
  • Office of Science
  • United States Department of Energy