Issue 6, 2017

Structural metatransition of energetically tangled crystalline phases

Abstract

We solve the longstanding puzzle of pressure induced structural evolution of SnSe using a swarm structure search method combined with first-principles phonon and kinetic barrier calculations. Our results identify a dynamic set of nearly degenerate crystalline SnSe phases that are separated by low kinetic barriers and undergo an unusual type of structural transitions characterized by a dynamically changing mix of the constituent phases. We introduce a new concept of structural metatransition to highlight the transitional nature of such phase transitions. Our theoretical prediction is corroborated by X-ray diffraction measurements, and this intriguing phenomenon offers insights into the enigmatic property variations of SnSe under pressure. This work raises prospects of considerably improving characterization and understanding of intrinsic multiphase crystals and their dynamic evolution.

Graphical abstract: Structural metatransition of energetically tangled crystalline phases

Article information

Article type
Paper
Submitted
07 Nov 2016
Accepted
13 Jan 2017
First published
19 Jan 2017

Phys. Chem. Chem. Phys., 2017,19, 4560-4566

Structural metatransition of energetically tangled crystalline phases

D. Zhou, Q. Li, W. Zheng, Y. Ma and C. Chen, Phys. Chem. Chem. Phys., 2017, 19, 4560 DOI: 10.1039/C6CP07605J

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements