High-pressure phase transition of cesium chloride and cesium bromide-Reference-Cited by-同舟云学术

High-pressure phase transition of cesium chloride and cesium bromide

Published:2014 Issue:33 Volume:16 Page:17924-17929
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wei Shubo¹²,Zhu Chunye¹²,Li Qian¹²,Zhou Yuanyuan¹²,Li Quan¹²³⁴²,Ma Yanming¹²⁵⁶

Affiliation:

1. State Key Laboratory of Superhard Materials, Jilin University

2. Changchun 130012, China

3. College of Materials Science and Engineering

4. Jilin University

5. Beijing Computational Science Research Center

6. Beijing 10084, China

Abstract

Using the CALYPSO method for crystal structure prediction combined with first-principles calculations, we have investigated the high-pressure crystal structures and established the corresponding phase boundaries for the prototypical AB-type compounds of CsCl and CsBr.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP02452D

Reference34 articles.

1. Die Berechnung optischer und elektrostatischer Gitterpotentiale

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