Publication
Title
Tight-binding model for borophene and borophane
Author
Abstract
Starting from the simplified linear combination of atomic orbitals method in combination with first-principles calculations, we construct a tight-binding (TB) model in the two-centre approximation for borophene and hydrogenated borophene (borophane). The Slater and Koster approach is applied to calculate the TB Hamiltonian of these systems. We obtain expressions for the Hamiltonian and overlap matrix elements between different orbitals for the different atoms and present the SK coefficients in a nonorthogonal basis set. An anisotropic Dirac cone is found in the band structure of borophane. We derive a Dirac low-energy Hamiltonian and compare the Fermi velocities with that of graphene.
Language
English
Source (journal)
Physical review B / American Physical Society. - New York, N.Y, 2016, currens
Publication
New York, N.Y : American Physical Society, 2018
ISSN
2469-9969 [online]
2469-9950 [print]
Volume/pages
97:12(2018), 5 p.
Article Reference
125424
ISI
000427983700004
Medium
E-only publicatie
Full text (Publisher's DOI)
Full text (open access)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 04.05.2018
Last edited 06.09.2021
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