First-Principles Study of Anisotropic Oxygen Diffusion in PrBaCo2O5.5

11Citations
Citations of this article
12Readers
Mendeley users who have this article in their library.

This article is free to access.

Abstract

We address the anisotropic oxygen diffusion in PrBaCo2O5.5 using first-principles calculations based on the density functional theory. First, the experimentally observed magnetic properties such as ferromagnetic, ferrimagnetic, and paramagnetic phases are examined through systematic consideration of cobalt spin ordering and oxygen vacancy position. Then, the diffusion mechanism of an oxygen atom, assumed to be externally supplied, is explored by evaluating the oxygen migration barriers with the formation of one-dimensional oxygen-vacancy channel.

Cite

CITATION STYLE

APA

Kim, I., & Choi, M. (2019). First-Principles Study of Anisotropic Oxygen Diffusion in PrBaCo2O5.5. ACS Omega, 4(6), 10960–10964. https://doi.org/10.1021/acsomega.9b01049

Register to see more suggestions

Mendeley helps you to discover research relevant for your work.

Already have an account?

Save time finding and organizing research with Mendeley

Sign up for free