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Journal of Materials Science
Erschienen in: Journal of Materials Science 21/2015

01.11.2015 | Original Paper

C2/m-carbon: structural, mechanical, and electronic properties

verfasst von: Mengjiang Xing, Binhua Li, Zhengtao Yu, Qi Chen

Erschienen in: Journal of Materials Science | Ausgabe 21/2015

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Abstract

The structural, mechanical, and electronic properties of C2/m-carbon were studied utilizing the first-principles calculations. The calculated lattice parameters and elastic constants of diamond are in excellent agreement with the available experimental data, indicating our calculations for C2/m-carbon are valid and believable. The calculated elastic constants indicate that C2/m-carbon is mechanically stable according to the elastic stability criteria under pressure. Furthermore, the elastic anisotropy has been visualized in detail by plotting the directional dependence of Poisson’s ratio, Young’s modulus, and shear modulus, whereas the calculated values of Poisson’s ratio and B/G present their brittle manner. B/G increases under increasing pressure with B/G = 1.75 at about 260.74 GPa and v increases observed with increasing pressure with v = 0.26 at about 261.35 GPa for C2/m-carbon, respectively. Our calculations predict that C2/m-carbon is an indirect semiconductor with wide band gap of 4.197 eV.
Vorheriger Artikel Microstructural characteristics and oxidation behavior of Y2O3-doped γ-AlON
Nächster Artikel High temperature dislocation structure and NbC precipitation in three Ni–Fe–Nb–C model alloys

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Metadaten
Titel
C2/m-carbon: structural, mechanical, and electronic properties
verfasst von
Mengjiang Xing
Binhua Li
Zhengtao Yu
Qi Chen
Publikationsdatum
01.11.2015
Verlag
Springer US
Erschienen in
Journal of Materials Science / Ausgabe 21/2015
Print ISSN: 0022-2461
Elektronische ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-015-9266-8

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