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A comparative study TiC/TiN and TiN/CN multilayers

Acceso Abierto
ID Minciencias: ART-0000209449-47
Ranking: ART-ART_A2

Abstract:

We carried out a comparative study of TiC/TiN and TiN/CN multilayers using the linearized augmented plane wave (LAPW) scheme and density functional theory as implemented in the Wien2k code. Initially, we optimized the structural properties of the TiC/TiN and TiN/CN multilayers in the volume with NaCl structure, and the ground state energy, the bulk modulus, and the cohesive energy were determined. To determine the energy of formation, the total energy for TiN, TiC, and CN compounds was calculated. Finally, we determined the DOS (density of states) of the two multilayers. The analysis of the partial density of states reveals that multilayers has metallic behavior that can be explained by the strong p–d hybridization of N and Ti atoms.

Tópico:

Metal and Thin Film Mechanics

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Citations: 6
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Información de la Fuente:

SCImago Journal & Country Rank
FuenteDYNA
Cuartil año de publicaciónNo disponible
Volumen81
Issue188
Páginas160 - 165
pISSN0012-7353
ISSNNo disponible

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