Atomic structural and electronic bandstructure calculations for borophene

Atomic structural and electronic bandstructure calculations for borophene

Density of states (DOS) and electronic bandstructure diagrams with ε ( k ) versus k are found for particular allotropes of borophene with much improved accuracy by ab initio quantum calculations using hybrid functionals of several types. The particular types of hybrid functionals are delineated in d...

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Bibliographic Details
Main Authors: Clifford M Krowne, Xianwei Sha
Format: Article
Language:English
Published: IOP Publishing 2021-01-01
Series:Materials Research Express
Subjects:
2D borophene
electronic bandstructure
hybrid functionals
ab initio calculations
DFT
density of states
Online Access:https://doi.org/10.1088/2053-1591/abdf7e

Internet

https://doi.org/10.1088/2053-1591/abdf7e

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