Ab initio calculations on twisted graphene/hBN: Electronic structure and STM image simulation

By performing ab initio calculations we obtained theoretical scanning tunneling microscopy (STM) images and studied the electronic properties of graphene on a hexagonal boron-nitrite (hBN) layer. Three different stack configurations and four twisted angles were considered. All calculations were perf...

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Autores:

Tipo de recurso:

Fecha de publicación:

2016

Institución:

Universidad de Medellín

Repositorio:

Repositorio UDEM

Idioma:

eng

OAI Identifier:

oai:repository.udem.edu.co:11407/2465

Acceso en línea:

http://hdl.handle.net/11407/2465

Palabra clave:

Calculations
Density functional theory
Electronic properties
Electronic structure
Fermi level
Heterojunctions
Scanning tunneling microscopy
Van der Waals forces
Ab initio calculations
Density of state
Electronic properties of graphene
Stack configurations
STM images
Total density of state
Van Der Waals interactions
Van Hove singularities
Graphene

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restrictedAccess

License

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