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Ultrastiff carbides uncovered in first principles
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10.1063/1.2766860
/content/aip/journal/apl/91/6/10.1063/1.2766860
http://aip.metastore.ingenta.com/content/aip/journal/apl/91/6/10.1063/1.2766860

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Ultraincompressible and hard material created by combining high valence density metal rhenium and small radius atom carbon with covalent bonding in WC-type (a) and NiAs-type (b) structures. WC-type ReC unit cell is doubled along axis for clear comparison. Rhenium and carbon are represented by blue and red spheres.

Image of FIG. 2.
FIG. 2.

(Color online) Computed total and partial DOS for WC–ReC (upper panel) and NiAs–ReC (lower panel). The Fermi level is set at zero energy and marked by the vertical lines.

Tables

Generic image for table
Table I.

Structure associated parameters of ReC in the WC and NiAs types at zero pressure, compared to the theoretical and experimental results for WC, where refers to the number of formula units in a conventional cell. Also shown are elastic properties including elastic constants, bulk modulus, and shear modulus.

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/content/aip/journal/apl/91/6/10.1063/1.2766860
2007-08-06
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Ultrastiff carbides uncovered in first principles
http://aip.metastore.ingenta.com/content/aip/journal/apl/91/6/10.1063/1.2766860
10.1063/1.2766860
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