First-principles study of Zr–N crystalline phases: phase stability, electronic and mechanical properties-Reference-Cited by-同舟云学术

First-principles study of Zr–N crystalline phases: phase stability, electronic and mechanical properties

Published:2017 Issue:8 Volume:7 Page:4697-4703
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Yu Shuyin¹²³⁴⁵^ORCID,Zeng Qingfeng¹²³⁴⁵,Oganov Artem R.⁵²³⁴⁶,Frapper Gilles⁷⁸⁹¹⁰¹¹,Huang Bowen⁷⁸⁹¹⁰¹¹,Niu Haiyang⁶¹²¹³¹⁴¹⁵,Zhang Litong¹²³⁴

Affiliation:

1. Science and Technology on Thermostructural Composite Materials Laboratory

2. Northwestern Polytechnical University

3. Xi'an

4. China

5. International Center for Materials Discovery

6. Department of Geosciences

7. IC2MP UMR 7285

8. Université de Poitiers

9. CNRS

10. 86073 Poitiers Cedex 9

11. France

12. Center for Materials by Design

13. Institute for Advanced Computational Science

14. State University of New York

15. Stony Brook

Abstract

Using a variable-composition ab initio evolutionary algorithm, we investigate stability of various Zr–N compounds.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/RA/C6RA27233A

Reference49 articles.

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