Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study-Reference-Cited by-同舟云学术

Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study

Author:

Yu Shuyin¹²³⁴⁵,Zeng Qingfeng¹²³⁴⁵,Oganov Artem R.⁶²³⁴⁵,Frapper Gilles⁷⁸⁹¹⁰¹¹,Zhang Litong¹²³⁴⁵

Affiliation:

1. Science and Technology on Thermostructural Composite Materials Laboratory

2. School of Materials Science and Engineering

3. Northwestern Polytechnical University

4. Xi'an

5. P. R. China

6. International Center for Materials Discovery

7. IC2MP UMR 7285

8. Université de Poitiers

9. CNRS

10. 86073 Poitiers Cedex 9

11. France

Abstract

New crystal structures of Ti–N compounds: (a) Immm-Ti₃N₂ at 0 GPa, (b) C2/m-Ti₄N₃ at 0 GPa, (c) C2/m-Ti₆N₅ at 0 GPa, and (d) Cmcm-Ti₂N at 60 GPa.

Funder

National Science Foundation

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference61 articles.

1. H. O. Pierson , Handbook of refractory carbides and nitrides: properties, characteristics, processing, and applications, Noyes Publications, 1996

4. E. Valkonen , T.Karlsson, B.Karlsson, et al., 1983 International Techincal Conference/Europe, 1983, pp. 375–381

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