Results 1 to 10 of about 198,178 (161)
Conductance of Graphene Nanoribbon Junctions and the Tight Binding Model [PDF]
Nanoscale Research Letters, 2011 Planar carbon-based electronic devices, including metal/semiconductor junctions, transistors and interconnects, can now be formed from patterned sheets of graphene.
Wu Y, Childs PA
doaj +6 more sources
Applied Sciences, 2016 Semiconducting transition metal dichalcogenides present a complex electronic band structure with a rich orbital contribution to their valence and conduction bands.
Jose Ángel Silva-Guillén +2 more
doaj +3 more sources
Quasi-periodic flat-band model constructed by molecular-orbital representation [PDF]
Scientific ReportsWe construct a tight-binding model that hosts both a quasi-periodic nature and macroscopic degenerate zero-energy modes. The model can be regarded as a counterpart of the Aubry–André–Harper (AAH) model, which is a paradigmatic example of the quasi ...
Tomonari Mizoguchi, Yasuhiro Hatsugai
doaj +2 more sources
Third nearest neighbor parameterized tight binding model for graphene nano-ribbons
AIP Advances, 2017 The existing tight binding models can very well reproduce the ab initio band structure of a 2D graphene sheet. For graphene nano-ribbons (GNRs), the current sets of tight binding parameters can successfully describe the semi-conducting behavior of all ...
Van-Truong Tran +3 more
doaj +2 more sources
A generic tight-binding model for monolayer, bilayer and bulk MoS2
AIP Advances, 2013 Molybdenum disulfide (MoS2) is a layered semiconductor which has become very important recently as an emerging electronic device material. Being an intrinsic semiconductor the two-dimensional MoS2 has major advantages as the channel material in field ...
Ferdows Zahid +4 more
doaj +3 more sources
Fast and accurate prediction of material properties with three-body tight-binding model for the periodic table. [PDF]
Phys Rev Mater, 2023 Garrity KF, Choudhary K.
europepmc +2 more sources
Coarse-grained tight-binding models [PDF]
Journal of Physics: Condensed Matter, 2022 Abstract Calculating the electronic structure of systems involving very different length scales presents a challenge. Empirical atomistic descriptions such as pseudopotentials or tight-binding models allow one to calculate the effects of atomic placements, but the computational burden increases rapidly with the size of the system ...
Tian-Xiang Liu +3 more
openaire +2 more sources
Thirteen-band Tight-binding Model for the MoS2 Monolayer
Materials Research, 2021 A tight-binding model is fitted to density-functional calculations of the electronic structure of the MoS2 monolayer. The model involves 13 atomic orbitals per unit cell: the 4d orbitals of the molybdenum atom plus the 3s and 3p orbitals of each sulfur ...
Luiz Antonio Meneghetti Junior +1 more
doaj +1 more source
Real-time evolution in the Hubbard model with infinite repulsion
SciPost Physics, 2022 We consider the real-time evolution of the Hubbard model in the limit of infinite coupling. In this limit the Hamiltonian of the system is mapped into a number-conserving quadratic form of spinless fermions, i.e. the tight binding model.
Elena Tartaglia, Pasquale Calabrese, Bruno Bertini
doaj +1 more source
A tight binding model for water [PDF]
The Journal of Chemical Physics, 2011 We demonstrate for the first time a tight binding model for water incorporating polarizable oxygen atoms. A novel aspect is that we adopt a “ground up” approach in that properties of the monomer and dimer only are fitted. Subsequently we make predictions of the structure and properties of hexamer clusters, ice-XI and liquid water. A particular feature,
Paxton, A. T., Kohanoff, J. J.
openaire +4 more sources