First-principles studies of polar perovskite KTaO3surfaces: structural reconstruction, charge compensation, and stability diagram

Abstract

First-principles calculations predict a surface phase stability diagram for the polar perovskite KTaO3.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2018
Source ID
10.1039/c8cp02540a

Entities

People

  • Jian Luo
  • Jianli Cheng
  • Kesong Yang
  • Maziar Behtash
  • Wu Tang
  • Yaqin Wang

Organizations

  • National Science Foundation
  • Office of Naval Research
  • United States Army
  • University of California
  • University of Electronic Science and Technology of China
  • Xihua University

Tags

Fields of Study

  • Physics

Readers

  • Computational Modeling and Simulation
  • Materials Science and Engineering.
  • Space/Atmospheric Physics.