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- W2210367006 abstract "We investigate the electronic structure, chemical bonding and elastic properties of the hexagonal aluminum carbonitride, Al5C3N, by ab initio calculations. Al5C3N is a semiconductor with a narrow indirect gap of 0.81 eV. The valence bands below the Fermi level (EF) originate from the hybridized Al p—C p and Al p—N p states. The calculated bulk and Young's moduli are 201 GPa and 292 GPa, which are slightly lower than those of Ti3SiC2. The values of the bulk-to-shear-modulus and bulk-modulus-to-c44 are 1.73 and 1.97, respectively, which are higher than those of Ti2AlC and Ti2AlN, indicating that Al5C3N is a ductile ceramic." @default.
- W2210367006 created "2016-06-24" @default.
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- W2210367006 date "2011-12-01" @default.
- W2210367006 modified "2023-09-25" @default.
- W2210367006 title "Ab initio study of the electronic structure and elastic properties of Al 5 C 3 N" @default.
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- W2210367006 doi "https://doi.org/10.1088/1674-1056/20/12/126201" @default.
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