DOI: 10.1063/1.2838345. First-principles study of structural, elastic, and electronic properties of chromium carbides

First-principles study of structural, elastic, and electronic properties of chromium carbides

10.1063/1.2838345

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

Abstract

Using first-principles calculations, we systematically studied the structural, elastic, and electronic properties of the technologically important chromium carbides: Cr3C2, Cr7C3, Cr23C6, Cr3C, and CrC. Our calculations show that the ground state structure for Cr7C3 is hexagonal, not orthorhombic. We further predict WC to be the energetically most stable structure for CrC. Our results indicate that all chromium carbides considered in this study are metallic and mechanically stable under the ambient condition. Among all chromium carbides, WC-type CrC exhibits the highest bulk and shear moduli and the lowest Poisson’s ratio, and is a potential low-compressibility and hard material.

Bibliography

Jiang, C. (2008). First-principles study of structural, elastic, and electronic properties of chromium carbides. Applied Physics Letters, 92(4).

Authors 1

Chao Jiang (first)

References 26 Referenced 134

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Dates

Type	When
Created	17 years, 7 months ago (Jan. 30, 2008, 6:25 p.m.)
Deposited	2 years, 2 months ago (July 2, 2023, 3:04 p.m.)
Indexed	5 days, 13 hours ago (Aug. 28, 2025, 8:21 a.m.)
Issued	17 years, 7 months ago (Jan. 28, 2008)
Published	17 years, 7 months ago (Jan. 28, 2008)
Published Online	17 years, 7 months ago (Jan. 30, 2008)
Published Print	17 years, 7 months ago (Jan. 28, 2008)

Funders 0

None

BibTeX

@article{Jiang_2008, title={First-principles study of structural, elastic, and electronic properties of chromium carbides}, volume={92}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.2838345}, DOI={10.1063/1.2838345}, number={4}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Jiang, Chao}, year={2008}, month=jan }

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