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 …
Experimental evidence of monolayer arsenene: an exotic 2D semiconducting material
Group V element analogues of graphene have attracted a lot of attention recently due to
their semiconducting band structures and several other interesting properties predicted by …
their semiconducting band structures and several other interesting properties predicted by …
[图书][B] Diverse quantization phenomena in layered materials
This monograph offers a comprehensive overview of diverse quantization phenomena in
layered materials, covering current mainstream experimental and theoretical research …
layered materials, covering current mainstream experimental and theoretical research …
Electronic and optical properties of monolayer tin diselenide: The effect of doping, magnetic field, and defects
A parametrized tight-binding (TB) model based on the first-principles calculations is
developed for monolayer tin diselenide (SnSe 2). The truncated model is derived from six …
developed for monolayer tin diselenide (SnSe 2). The truncated model is derived from six …
Interplay between stacking order and in-plane strain on the electrical properties of bilayer antimonene
In this work, the electrical properties of bilayer Antimonene with different stacking orders are
studied. Density functional theory with van der Waals (vdW) correction is used to investigate …
studied. Density functional theory with van der Waals (vdW) correction is used to investigate …
Giant and anisotropic second harmonic generation of V–V binary phosphorene derivative with permanent dipole
Optical nonlinearity of two-dimensional (2D) materials with a permanent dipole is a subject
of intense research in the fields ranging from all-optical signal processing to laser …
of intense research in the fields ranging from all-optical signal processing to laser …
[图书][B] 2D Monoelemental Materials (Xenes) and Related Technologies: Beyond Graphene
Monoelemental 2D materials called Xenes have a graphene-like structure, intra-layer
covalent bond, and weak van der Waals forces between layers. Materials composed of …
covalent bond, and weak van der Waals forces between layers. Materials composed of …
Hybrid atomic orbital basis from first principles: Bottom-up mapping of self-energy correction to large covalent systems
M Hossain, J De, J Bhattacharjee - The Journal of Physical …, 2021 - ACS Publications
Construction of hybrid atomic orbitals is proposed as the approximate common eigenstates
of finite first moment matrices. Their hybridization and orientation can be a priori tuned as …
of finite first moment matrices. Their hybridization and orientation can be a priori tuned as …
Mechanochemistry of Phosphorus and Arsenic Alloys for Visible and Infrared Photonics
SV Pedersen, F Muramutsa, C Greseth… - Advanced Photonics …, 2022 - Wiley Online Library
Incorporating few‐layer 2D phosphorus–arsenic alloys (PAs) into optoelectronic devices
requires a synthesis technique that allows control of the alloy composition while producing …
requires a synthesis technique that allows control of the alloy composition while producing …
Electronic structure of monolayer antimonene nanoribbons under out-of-plane and transverse bias
A systematic study of the electronic properties of single-layer Sb (antimonene) nanoribbons
is presented. By using a six-orbital tight-binding Hamiltonian, we study the electronic band …
is presented. By using a six-orbital tight-binding Hamiltonian, we study the electronic band …