MagneticTB: A package for tight-binding model of magnetic and non-magnetic materials
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 …
binding model for arbitrary magnetic space group. The only input parameters in MagneticTB …
TBPLaS: A tight-binding package for large-scale simulation
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 …
with arbitrary geometry and dimensionality utilizing the tight-binding (TB) theory. It has an …
Bottom‐up synthesized nanoporous graphene transistors
Nanoporous graphene (NPG) can exhibit a uniform electronic band gap and rationally‐
engineered emergent electronic properties, promising for electronic devices such as field …
engineered emergent electronic properties, promising for electronic devices such as field …
Charge transport in topological graphene nanoribbons and nanoribbon heterostructures
Although it is generally accepted that structural parameters like width, shape, and edge
structure crucially affect the electronic characteristics of graphene nanoribbons (GNRs), the …
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
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 …
a wide range of mechanical and electronic properties. We have performed a joint …
Pseudo-atomic orbital behavior in graphene nanoribbons with four-membered rings
The incorporation of nonhexagonal rings into graphene nanoribbons (GNRs) is an effective
strategy for engineering localized electronic states, bandgaps, and magnetic properties …
strategy for engineering localized electronic states, bandgaps, and magnetic properties …
Contact engineering for graphene nanoribbon devices
Graphene nanoribbons (GNRs), when synthesized with atomic precision by bottom–up
chemical approaches, possess tunable electronic structure, and high theoretical mobility …
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 …
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 …
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
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 …
topology physics, especially for the systems with larger chiral charges C. In this work, based …