MagneticTB: A package for tight-binding model of magnetic and non-magnetic materials

Z Zhang, ZM Yu, GB Liu, Y Yao - Computer Physics Communications, 2022 - Elsevier
We present a Mathematica program package MagneticTB, which can generate the tight-
binding model for arbitrary magnetic space group. The only input parameters in MagneticTB …

TBPLaS: A tight-binding package for large-scale simulation

Y Li, Z Zhan, X Kuang, Y Li, S Yuan - Computer Physics Communications, 2023 - Elsevier
TBPLaS is an open-source software package for the accurate simulation of physical systems
with arbitrary geometry and dimensionality utilizing the tight-binding (TB) theory. It has an …

Bottom‐up synthesized nanoporous graphene transistors

Z Mutlu, PH Jacobse, RD McCurdy… - Advanced Functional …, 2021 - Wiley Online Library
Nanoporous graphene (NPG) can exhibit a uniform electronic band gap and rationally‐
engineered emergent electronic properties, promising for electronic devices such as field …

Charge transport in topological graphene nanoribbons and nanoribbon heterostructures

MJJ Mangnus, FR Fischer, MF Crommie, I Swart… - Physical Review B, 2022 - APS
Although it is generally accepted that structural parameters like width, shape, and edge
structure crucially affect the electronic characteristics of graphene nanoribbons (GNRs), the …

Revealing the local electronic structure of a single-layer covalent organic framework through electronic decoupling

DJ Rizzo, Q Dai, C Bronner, G Veber, BJ Smith… - Nano …, 2020 - ACS Publications
Covalent organic frameworks (COFs) are molecule-based 2D and 3D materials that possess
a wide range of mechanical and electronic properties. We have performed a joint …

Pseudo-atomic orbital behavior in graphene nanoribbons with four-membered rings

PH Jacobse, Z Jin, J Jiang, S Peurifoy, Z Yue… - Science …, 2021 - science.org
The incorporation of nonhexagonal rings into graphene nanoribbons (GNRs) is an effective
strategy for engineering localized electronic states, bandgaps, and magnetic properties …

Contact engineering for graphene nanoribbon devices

Z Mutlu, C Dinh, GB Barin, PH Jacobse… - Applied Physics …, 2023 - pubs.aip.org
Graphene nanoribbons (GNRs), when synthesized with atomic precision by bottom–up
chemical approaches, possess tunable electronic structure, and high theoretical mobility …

Bionanosensor utilizing single-layer graphene for the detection of iridovirus

M Makwana, AM Patel - Journal of Molecular Modeling, 2024 - Springer
Context Iridoviruses, a group of double-stranded DNA viruses, pose a significant threat to
various aquatic animals, causing substantial economic losses in aquaculture and impacting …

Solving the one-dimensional time-independent Schrödinger equation with high accuracy: The LagrangeMesh Mathematica® package

JC Del Valle - International Journal of Modern Physics C, 2024 - World Scientific
In order to find the spectrum associated with the one-dimensional Schrödinger equation, we
discuss the Lagrange Mesh Method (LMM) and its numerical implementation. After …

Single pair of charge-2 high-fold fermions with surface type-II Van Hove singularities in ultralight chiral crystals

X Xiao, Y Jin, DS Ma, H Wei, J Fan, R Wang, X Wu - Physical Review B, 2024 - APS
The realization of the single-pair fermions in electronic systems remains challenging in
topology physics, especially for the systems with larger chiral charges C. In this work, based …