Predicting the temperature-strain phase diagram of VO$_2$ from first principles

Predicting the temperature-strain phase diagram of VO$_2$, including the various structural allotropes, from first principles is a grand challenge of materials physics, and even the phase diagram remains unclear at T = 0K. The coexistence of Peierls and Mott physics suggests that a theory which can...

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Bibliographic Details
Main Author: Kim, Chanul
Language:English
Published: 2018
Subjects:
Online Access:https://doi.org/10.7916/D8KD3F90