Results 31 to 40 of about 1,164,525 (314)
TiO2/Gold nanocomposite as an extremely sensitive molecule sensor for NO2 detection: A DFT study [PDF]
Journal of Water and Environmental Nanotechnology, 2016 First-principles calculations within density functional theory (DFT) have been performed to investigate the interactions of NO2 molecules with TiO2/Gold nanocomposites in order to completely exploit the adsorption properties of these nanostructures ...
Amirali Abbasi +2 more
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Visualizing and Characterizing Excited States from Time-Dependent Density Functional Theory
, 2023 Time-dependent density functional theory (TD-DFT) is the most widely-used electronic structure method for excited states, due to a favorable combination of low cost and (in many contexts) semi-quantitative accuracy.
John, Herbert
core +1 more source
Light absorption coefficient of an ordered array of spherical quantum dot chains
Condensed Matter Physics, 2017 We considered intersubband electron transitions in an array of one-dimensional chains of spherical quantum dots in the GaAs/Al_xGa_{1-x}As semiconductor system.
V.I. Boichuk +2 more
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Calculation of the Band Structure for GaAs and ZnTe Nanoparticles from the Density Functional Theory Based on LDA, GGA and HSE06 [PDF]
Eurasian Journal of Science and Engineering, 2019 The energy band structure and density of state (DOS) are calculated using density functional theory (DFT) for GaAs and ZnTe semiconductors for both the bulk and nanoparticles (NPs) and implemented in the CASTEP code.
Botan Jawdat Abdullah +1 more
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Confirming X-ray parametric down conversion by time–energy correlation
Results in PhysicsWe present measurements of X-ray Parametric Down Conversion at the Advanced Photon Source synchrotron facility. Using an incoming pump beam at 22 keV, we observe the simultaneous, elastic emission of down-converted photon pairs generated in a diamond ...
N.J. Hartley +18 more
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Қарағанды университетінің хабаршысы. Физика сериясы, 2023 The structure of stable phases is investigated using first-principle calculations based on the functionals: LDA, GGA and newly developed general-purpose heavily constrained and appropriately normalized meta GGAfunctional (SCAN).
Т.М. Инербаев +5 more
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Density of States in Gauge Theories [PDF]
Physical Review Letters, 2012 The density of states is calculated for the SU(2), SU(3), and a compact U(1) lattice gauge theories using a modified version of the Wang-Landau algorithm. We find that the density of states of the SU(2) gauge theory can be reliably calculated over a range of 120,000 orders of magnitude for lattice sizes as big as 20(4).
Langfeld, Kurt +2 more
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Density of trap states in a polymer field-effect transistor
, 2014 We report a more accurate method to determine the density of trap states in a polymer field-effect transistor. In the approach, we describe in this letter, we take into consideration the sub-threshold behavior in the calculation of the density of trap ...
Ha, Tae-Jun +7 more
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Density of States Graph Kernels [PDF]
, 2021 A fundamental problem on graph-structured data is that of quantifying similarity between graphs. Graph kernels are an established technique for such tasks; in particular, those based on random walks and return probabilities have proven to be effective in wide-ranging applications, from bioinformatics to social networks to computer vision.
Leo Huang, Andrew Graven, David Bindel
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On the density of states of graphene in the nearest-neighbor approximation
Condensed Matter Physics, 2017 We propose an alternative analytical expression for the density of states of a clean graphene in the nearest-neighbor approximation. In contrast to the previously known expression, it can be written as a single formula valid for the whole energy range ...
V.O. Ananyev, M.I. Ovchynnikov
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