A new type of vanadium carbide V(5)C(3) and its hardening by tuning Fermi energy

Transition metal compounds usually have various stoichiometries and crystal structures due to the coexistence of metallic, covalent, and ionic bonds in them. This flexibility provides a lot of candidates for materials design. Taking the V-C binary system as an example, here we report the first-princ...

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Detalles Bibliográficos
Autores principales: Xing, Wandong, Meng, Fanyan, Yu, Rong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4772090/
https://www.ncbi.nlm.nih.gov/pubmed/26928719
http://dx.doi.org/10.1038/srep21794
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author Xing, Wandong
Meng, Fanyan
Yu, Rong
author_facet Xing, Wandong
Meng, Fanyan
Yu, Rong
author_sort Xing, Wandong
collection PubMed
description Transition metal compounds usually have various stoichiometries and crystal structures due to the coexistence of metallic, covalent, and ionic bonds in them. This flexibility provides a lot of candidates for materials design. Taking the V-C binary system as an example, here we report the first-principles prediction of a new type of vanadium carbide, V(5)C(3), which has an unprecedented stoichiometry in the V-C system, and is energetically and mechanically stable. The material is abnormally much harder than neighboring compounds in the V-C phase diagram, and can be further hardened by tuning the Fermi energy.
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spelling pubmed-47720902016-03-07 A new type of vanadium carbide V(5)C(3) and its hardening by tuning Fermi energy Xing, Wandong Meng, Fanyan Yu, Rong Sci Rep Article Transition metal compounds usually have various stoichiometries and crystal structures due to the coexistence of metallic, covalent, and ionic bonds in them. This flexibility provides a lot of candidates for materials design. Taking the V-C binary system as an example, here we report the first-principles prediction of a new type of vanadium carbide, V(5)C(3), which has an unprecedented stoichiometry in the V-C system, and is energetically and mechanically stable. The material is abnormally much harder than neighboring compounds in the V-C phase diagram, and can be further hardened by tuning the Fermi energy. Nature Publishing Group 2016-03-01 /pmc/articles/PMC4772090/ /pubmed/26928719 http://dx.doi.org/10.1038/srep21794 Text en Copyright © 2016, Macmillan Publishers Limited http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Xing, Wandong
Meng, Fanyan
Yu, Rong
A new type of vanadium carbide V(5)C(3) and its hardening by tuning Fermi energy
title A new type of vanadium carbide V(5)C(3) and its hardening by tuning Fermi energy
title_full A new type of vanadium carbide V(5)C(3) and its hardening by tuning Fermi energy
title_fullStr A new type of vanadium carbide V(5)C(3) and its hardening by tuning Fermi energy
title_full_unstemmed A new type of vanadium carbide V(5)C(3) and its hardening by tuning Fermi energy
title_short A new type of vanadium carbide V(5)C(3) and its hardening by tuning Fermi energy
title_sort new type of vanadium carbide v(5)c(3) and its hardening by tuning fermi energy
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4772090/
https://www.ncbi.nlm.nih.gov/pubmed/26928719
http://dx.doi.org/10.1038/srep21794
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