AuNx stabilization with interstitial nitrogen atoms: A Density Functional Theory Study

Researchers have been studying 4d and 5d Series Transition Metal Nitrides lately as a result of the experimental production of AuN, PtN, CuN. In this paper, we used the Density Functional Theory (DFT) implementing a pseudopotential plane-wave method to study the incorporation of nitrogen atoms in th...

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Autores:

Tipo de recurso:

Fecha de publicación:

2017

Institución:

Universidad de Medellín

Repositorio:

Repositorio UDEM

Idioma:

eng

OAI Identifier:

oai:repository.udem.edu.co:11407/4279

Acceso en línea:

http://hdl.handle.net/11407/4279

Palabra clave:

Computer Simulation
Crystal Structure
Nitrides
Point Defects
Solid Solutions
Superlattices
Atoms
Computer simulation
Crystal atomic structure
Crystal structure
Gold
Lattice theory
Nitrides
Nitrogen
Point defects
Refractory metal compounds
Solid solutions
Superlattices
Transition metals
Zinc sulfide
Density functional theory studies
Face-centered cubes (fcc)
Interstitial nitrogen
Interstitial sites
Pseudopotential plane-wave method
Series transitions
Transition metal nitrides
Wurtzite structure
Density functional theory

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http://purl.org/coar/access_right/c_16ec