Effects of single vacancy on electronic properties of blue-phosphorene nanotubes

We investigate the electronic properties of blue-phosphorene nanotubes using density functional theory first-principle calculations, taking into account, in particular, the presence of atom vacancies in the structure. The study considers both zigzag and armchair achiral configurations and reports on...

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Autores:

Tipo de recurso:

Fecha de publicación:

2020

Institución:

Universidad de Medellín

Repositorio:

Repositorio UDEM

Idioma:

eng

OAI Identifier:

oai:repository.udem.edu.co:11407/5813

Acceso en línea:

http://hdl.handle.net/11407/5813

Palabra clave:

blue-phosphorene
DFT
nanotubes
Density functional theory
Energy gap
Nanotubes
Spin polarization
blue-phosphorene
Electron volt
First principle calculations
Gap state
Localized state
Single vacancies
Electronic properties

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