Full text loading...
(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.
(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.
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.
Article metrics loading...