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Title: Research Update: Towards designed functionalities in oxide-based electronic materials

One of the grand challenges facing materials-by-design approaches for complex oxide deployment in electronic devices is how to balance transformative first-principles based predictions with experimental feasibility. Here, we briefly review the functionality-driven approach (inverse design) for materials discovery, encapsulated in three modalities for materials discovery (m{sup 3}D) that integrate experimental feedback. We compare it to both traditional theoretical and high-throughput database-directed approaches aimed at advancing oxide-based materials into technologies.
Authors:
 [1] ;  [2] ;  [3]
  1. Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208 (United States)
  2. Department of Chemistry, Northwestern University, Evanston, Illinois 60208 (United States)
  3. University of Colorado, Boulder, Colorado 80309 (United States)
Publication Date:
OSTI Identifier:
22499234
Resource Type:
Journal Article
Resource Relation:
Journal Name: APL Materials; Journal Volume: 3; Journal Issue: 8; Other Information: (c) 2015 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; COMPARATIVE EVALUATIONS; DESIGN; ELECTRONIC EQUIPMENT; OXIDES