Electronic structure of monolayer and bilayer black phosphorus with charged defects

Electronic structure of monolayer and bilayer black phosphorus with charged defects

We use an atomistic approach to study the electronic properties of monolayer and bilayer black phosphorus in the vicinity of a charged defect. In particular, we combine screened defect potentials obtained from first-principles linear response theory with large-scale tight-binding simulations to calc...

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Bibliographic Details
Main Authors: Aghajanian, M. (Author), Lischner, J. (Author), Mostofi, A.A (Author)
Format: Article
Language:English
Published: American Physical Society 2022
Subjects:
Anisotropy
Atomistic approach
Bi-layer
Binding energy
Charged defects
Defect potentials
Defect states
Electronic properties
Electronic structure
Electronic.structure
First principles
Intercalants
Large-scales
Linear-response theory
Monolayers
Phosphorus
Scanning tunneling microscopy
Substrates
Tight binding
Wave functions
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