Results 21 to 30 of about 198,178 (161)
Dephasing versus collapse: lessons from the tight-binding model with noise
New Journal of Physics, 2021 Condensed matter physics at room temperature usually assumes that electrons in conductors can be described as spatially narrow wave packets—in contrast to what the Schrödinger equation would predict. How a finite-temperature environment can localize wave
Marco Hofmann, Barbara Drossel
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A tight-binding model for MoS2monolayers [PDF]
Journal of Physics: Condensed Matter, 2015 We propose an accurate tight-binding parametrization for the band structure of MoS$_2$ monolayers near the main energy gap. We introduce a generic and straightforward derivation for the band energies equations that could be employed for other monolayer dichalcogenides. A parametrization that includes spin-orbit coupling is also provided.
Ridolfi, E. +4 more
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A simple tight-binding model for typical graphyne structures
New Journal of Physics, 2012 A π -electronic tight-binding (TB) model with, at most, three independent parameters is found to well fit the density functional theory results about the dispersions of the conduction and valence bands of α -, β -, γ - and (6,6,12)-graphyne.
Zhe Liu +5 more
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Role Played by Edge-Defects in the Optical Properties of Armchair Graphene Nanoribbons
Nanomaterials, 2021 We explore the implementation of specific optical properties of armchair graphene nanoribbons (AGNRs) through edge-defect manipulation. This technique employs the tight-binding model in conjunction with the calculated absorption spectral function ...
Thi-Nga Do +4 more
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Tight-binding model fitting in the presence of noisy data [PDF]
AIP AdvancesReduced-order equations are simplified models that capture the essential features of some process originally described by a more complicated set of governing equations.
Michael J. Nameika, Justin T. Cole
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Point defects in tight binding models for insulators [PDF]
Mathematical Models and Methods in Applied Sciences, 2020 We consider atomistic geometry relaxation in the context of linear tight binding models for point defects. A limiting model as Fermi-temperature is sent to zero is formulated, and an exponential rate of convergence for the nuclei configuration is established.
Ortner, Christoph, Thomas, Jack
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Transport in tight-binding bond percolation models [PDF]
Physical Review E, 2014 9 pages, 9 ...
Schmidtke, Daniel +2 more
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Cost-Effective Calculation of Collective Electronic Excitations in Graphite Intercalated Compounds
Nanomaterials, 2022 Graphite/graphene intercalation compounds with good and improving electrical transport properties, optical properties, magnetic properties and even superconductivity are widely used in battery, capacitors and so on.
Pengfei Suo +3 more
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Scanning tunneling microscopy of buried dopants in silicon: images and their uncertainties
npj Computational Materials, 2022 The ability to determine the locations of phosphorous dopants in silicon is crucial for the design, modelling, and analysis of atom-based nanoscale devices for future quantum computing applications.
Piotr T. Różański +2 more
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Temperature-dependent Coulomb excitations in silicene
New Journal of Physics, 2014 The temperature-dependent Coulomb screening and excitation spectrum of electrons in silicene are studied by the tight-binding model and the random-phase approximation. With the spin–orbit interaction, monolayer silicene is a narrow-gap semiconductor.
J Y Wu, S C Chen, M F Lin
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