First-principles investigation of Zr-O compounds, their crystal structures, and mechanical properties

Author:

Zhang Jin1,Oganov Artem R.1234ORCID,Li Xinfeng5,Mahdi Davari Esfahani M.1,Dong Huafeng6

Affiliation:

1. Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, State University of New York, Stony Brook, New York 11794-2100, USA

2. Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, 5 Nobel St., Moscow, 143026, Russia

3. International Center for Materials Discovery, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi'an, Shaanxi 710072, People's Republic of China

4. Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region 141700, Russia

5. State Key Laboratory for Mechanical Behavior of Materials, School of Materials Science and Engineering, Xi'an Jiaotong University, Xian 710049, People's Republic of China

6. College of Physics and Optoelectronic Engineering, Guangdong University of Technology, Guangzhou 510006, China

Publisher

AIP Publishing

Subject

General Physics and Astronomy

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