Modeling of borophene with density-functional tight-binding

Modeling of borophene with density-functional tight-binding

Borophene is a recently discovered two-dimensional allotrope of boron that hasshown unique electromechanical properties. In this study mechanical properties ofborophene are modeled with density-functional tight-binding (DFTB), which is amethod derived from density-functional theory (DFT). The goal o...

Täydet tiedot

Bibliografiset tiedot
Päätekijä: Ukkola, Eerik
Muut tekijät: Matemaattis-luonnontieteellinen tiedekunta, Faculty of Sciences, Fysiikan laitos, Department of Physics, Jyväskylän yliopisto, University of Jyväskylä
Aineistotyyppi: Pro gradu
Kieli:eng
Julkaistu: 2020
Aiheet:
borophene
DFTB
bending
DFT
electronic structure analysis
2D materials
RPBC
Fysiikka
Physics
4021
boori
tiheysfunktionaaliteoria
boron
density functional theory
Linkit: https://jyx.jyu.fi/handle/123456789/68520

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