Phase relations, and mechanical and electronic properties of nickel borides, carbides, and nitrides from ab initio calculations-Reference-Cited by-同舟云学术

Phase relations, and mechanical and electronic properties of nickel borides, carbides, and nitrides from ab initio calculations

Published:2021 Issue:53 Volume:11 Page:33781-33787
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Sagatov Nursultan E.¹²^ORCID,Abuova Aisulu U.²,Sagatova Dinara N.¹³^ORCID,Gavryushkin Pavel N.¹³,Abuova Fatima U.²,Litasov Konstantin D.⁴

Affiliation:

1. Sobolev Institute of Geology and Mineralogy, Siberian Branch of the Russian Academy of Sciences, Novosibirsk 630090, Russian Federation

2. L. N. Gumilyov Eurasian National University, Nur-Sultan 010008, Republic of Kazakhstan

3. Novosibirsk State University, Novosibirsk 630090, Russian Federation

4. Vereshchagin Institute for High Pressure Physics, Russian Academy of Sciences, Troitsk, Moscow 108840, Russian Federation

Abstract

Based on density functional theory and the crystal structure prediction methods, USPEX and AIRSS, stable intermediate compounds in the Ni–X (X = B, C, and N) systems and their structures were determined in the pressure range of 0–400 GPa.

Funder

Ministry of Education and Science of the Republic of Kazakhstan

Siberian Branch, Russian Academy of Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/RA/D1RA06160G

Reference53 articles.

1. Synthesis and Characterization of the Nitrides of Platinum and Iridium

2. Superconducting ultraincompressible hard cubic Re4C

3. Elastic Properties and Stacking Fault Energies of Borides, Carbides and Nitrides from First-Principles Calculations

4. Characterization of molybdenum nitride coatings produced by arc-PVD technique

5. Tungsten tetraboride, an inexpensive superhard material

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