Density of States Engineering of n‐Doped Conjugated Polymers for High Charge Transport Performances
Sign Up to like & getrecommendations! Published in 2023 at "Advanced Materials"
DOI: 10.1002/adma.202300634
Abstract: Charge transport of conjugated polymers in functional devices closely relates to their density of states (DOS) distributions. However, systemic DOS engineering for conjugated polymers is challenging due to the lack of modulated methods and the… read more here.
Keywords: density states; charge transport; transport; conjugated polymers ... See more keywords
Direct Prediction of Phonon Density of States With Euclidean Neural Networks
Sign Up to like & getrecommendations! Published in 2021 at "Advanced Science"
DOI: 10.1002/advs.202004214
Abstract: Abstract Machine learning has demonstrated great power in materials design, discovery, and property prediction. However, despite the success of machine learning in predicting discrete properties, challenges remain for continuous property prediction. The challenge is aggravated… read more here.
Keywords: direct prediction; phonon density; density states; prediction phonon ... See more keywords
Impact of Narrowing Density of States in Semiconducting Polymers on Performance of Organic Field-Effect Transistors.
Sign Up to like & getrecommendations! Published in 2022 at "Small"
DOI: 10.1002/smll.202205570
Abstract: To improve the performance of organic field-effect transistors (OFETs) employing π-conjugated polymers, a basic understanding of the relationships between the material properties and device characteristics is crucial. Although the density of states (DOS) distribution is… read more here.
Keywords: field effect; organic field; performance organic; effect transistors ... See more keywords
Hölder Continuity of the Integrated Density of States in the One-Dimensional Anderson Model
Sign Up to like & getrecommendations! Published in 2017 at "Communications in Mathematical Physics"
DOI: 10.1007/s00220-017-2927-5
Abstract: AbstractWe consider the one-dimensional random Schrödinger operator $$H_{\omega} = H_0 + \sigma V_{\omega},$$Hω=H0+σVω,where the potential V has i.i.d. entries with bounded support. We prove that the IDS is Hölder continuous with exponent $${1-c \sigma}$$1-cσ. This… read more here.
Keywords: lder continuity; density states; states one; integrated density ... See more keywords
Modeling the Seebeck coefficient for organic materials with the Kubo–Greenwood integral and a Gaussian density of states
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Computational Electronics"
DOI: 10.1007/s10825-019-01312-8
Abstract: The Seebeck coefficient (SC) or thermopower of an organic material may be modeled by using an energy-dependent Gaussian density of states and an energy-dependent diffusivity. Once these have been formulated or parameterized from experimental evidence,… read more here.
Keywords: density states; seebeck; seebeck coefficient; gaussian density ... See more keywords
Theoretical Study of Superconducting Gap Parameters, Density of States, and Condensation Energy of Two-Band Iron-Based Superconductor BaFe2(As1−xPx)2
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-017-4191-5
Abstract: This research work focuses on the theoretical study of superconducting gap parameters, density of states, and condensation energy of two-band iron-based superconductor BaFe2(As1−xPx)2. By developing a model Hamiltonian for the given system and by using… read more here.
Keywords: temperature; density states; bafe2 as1; band ... See more keywords
Density functional LCAO calculations of vibrational modes and phonon density of states in the strained single-layer phosphorene
Sign Up to like & getrecommendations! Published in 2020 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.147033
Abstract: Abstract The paper presents an investigation of phosphorene under axial strain on the phonon density of states and vibrational modes. The studies were performed by means of density functional theory (DFT) within the linear combination… read more here.
Keywords: phonon density; density functional; density states; density ... See more keywords
Theoretical study of the effect of the Coulomb blockade and Kondo resonance in the density of states using self-consistent field approximation
Sign Up to like & getrecommendations! Published in 2020 at "Chinese Journal of Physics"
DOI: 10.1016/j.cjph.2020.06.014
Abstract: Abstract In a recent paper, we theoretically investigated the density of states of the composite channel–contact system in the Coulomb and Kondo regimes using the self-consistent field approximation. There are the main experimental observations of… read more here.
Keywords: density states; self consistent; density; field approximation ... See more keywords
Trotter-Suzuki-time propagation method for calculating the density of states of disordered graphene
Sign Up to like & getrecommendations! Published in 2019 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.10.016
Abstract: Abstract We present Trotter-Suzuki-time propagation method to calculate the Density of States (DOS) of disordered (i.e., vacancy and hydrogen adatom impurities) graphene system for the size of up to ≈16,000,000 atoms. The method is based… read more here.
Keywords: time; density states; trotter suzuki; propagation method ... See more keywords
Magnetic phase diagrams of amorphous (Ni100-xFex)-metalloid alloys: The key role of the electronic density of states at the Fermi level for the onset of magnetic order
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2017.05.056
Abstract: Abstract There have been extended studies on the appearance of ferromagnetism in transition-metal–metalloid (MD) glasses. In particular, the paramagnetic (PM) to ferromagnetic (FM) transition has been investigated on numerous (Ni100-xFex)-MD alloys upon the introduction of… read more here.
Keywords: ni100 xfex; phase; density states; phase diagrams ... See more keywords
Localized states in bipartite fcc lattices
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2018.07.079
Abstract: Abstract The Hubbard model in a bipartite face-centered cubic (fcc) lattice is studied in the tight-binding limit and using the mean-field approximation. This bipartite lattice can be obtained from the traditional fcc lattice by considering… read more here.
Keywords: density states; mean field; bipartite fcc; fcc lattice ... See more keywords