Theory of Novel Electroactive Materials

Abstract

The goal of this work has been to carry out realistic first-principles calculations of the structural, electronic, dielectric, and piezoelectric properties of ferroelectric and other electroactive materials. Such materials are of pressing technological interest for Navy sonar applications as well as for other piezoelectric, memory storage, and optoelectronic applications. The research uncovered novel ferroelectric materials with unique functional properties, led to the development of new methods for computing flexoelectric responses, and provided a thorough atomistic understanding of the structural and electronic properties of novel ferroelectric and piezoelectric materials.

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Document Details

Document Type
Technical Report
Publication Date
May 20, 2021
Accession Number
AD1224278

Entities

People

  • David Vanderbilt

Organizations

  • Rutgers University

Tags

Fields of Study

  • Materials science

Readers

  • Materials Science and Engineering.
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.

Technology Areas

  • Microelectronics