First Principles Theory of the hcp-fcc Phase Transition in Cobalt

Abstract Identifying the forces that drive a phase transition is always challenging. The hcp-fcc phase transition that occurs in cobalt at ~700 K has not yet been fully understood, although early theoretical studies have suggested that magnetism plays a main role in the stabilization of the fcc phas...

Full description

Bibliographic Details
Main Authors: Raquel Lizárraga, Fan Pan, Lars Bergqvist, Erik Holmström, Zsolt Gercsi, Levente Vitos
Format: Article
Language:English
Published: Nature Publishing Group 2017-06-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-017-03877-5