The electronic, mechanical properties and theoretical hardness of chromium carbides by first-principles calculations

► This paper investigates the six Cr-C binary compounds (h-CrC, c-CrC, Cr3C, Cr3C2, Cr7C3, and Cr23C6) by using DFT; all of the carbides show a mixed character of metallic, covalent and ionic bonds; the thermodynamic stability decreases in the sequence of Cr3C2> Cr7C3> Cr3C≈ Cr23C6> h-CrC&g...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Journal of alloys and compounds 2011-04, Vol.509 (17), p.5242-5249
Hauptverfasser:	Li, Yefei, Gao, Yimin, Xiao, Bing, Min, Ting, Yang, Ying, Ma, Shengqiang, Yi, Dawei
Format:	Artikel
Sprache:	eng
Schlagworte:	Alloys Bonding Carbides Chromium carbide Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Elastic anisotropy Elasticity, elastic constants Electron density of states and band structure of crystalline solids Electron states Electronic structure Electronics Exact sciences and technology First-principles calculations Ground state Hardness Inorganic compounds Mathematical analysis Mechanical and acoustical properties of condensed matter Mechanical properties Mechanical properties of solids Other inorganic compounds Physics Stability
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!