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Search for "density of states" in Full Text gives 195 result(s) in Beilstein Journal of Nanotechnology.

Fractional shot noise of an SU(N) Kondo system

  • Damian Krychowski and
  • Stanisław Lipiński

Beilstein J. Nanotechnol. 2026, 17, 515–540, doi:10.3762/bjnano.17.34

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  • capacitively coupled N-dot structure with dots connected to the separate leads. The occupation number operators of the spin-orbital and of the Fermi sea in the left (right) leads are given by and , respectively. We assume the coupling strength to the electrodes with the rectangular density of states 1/2W (W
  • denoting the electron bandwidth of electrodes in the wide-band approximation, where the leads are represented by a flat density of states). Γ = πt2/2W is the coupling strength to leads. In the calculations, we use the natural units setting ℏ = kB = e = g = |νB| = 1. We also take W/50 as the energy unit
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Published 14 Apr 2026

Probing internal continua and atomic ultrafast charge transfer within size-controlled nanoparticles by post-collision interaction in core-hole clock spectroscopy

  • Johannes Lütgert,
  • Erika Giangrisostomi,
  • Nomi L. A. N. Sorgenfrei and
  • Alexander Föhlisch

Beilstein J. Nanotechnol. 2026, 17, 505–514, doi:10.3762/bjnano.17.33

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  • transfer times obtained from the core-hole clock approach probe the very local charge transfer to neighboring atomic sites and are particularly sensitive to the energetic and spatial overlap of the involved orbitals and the available density of states (DOS). Accordingly, they could be sensitive to changes
  • transfer rates. An energy level diagram of CdSe/ZnS QDs is schematically shown in Figure 2c. Owing to its smaller bandgap, the CdSe core is expected to have a higher density of states at a given energy compared to the wider-bandgap ZnS shell. From this perspective, charge transfer toward the core is
  • [33], due to the additional attenuation, both values are still severely underestimating the contribution of the signal from the shell. Given that an increasing quantum confinement for increasingly small shell thicknesses would results in a decreased density of states, one would expect a decreasing
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Published 07 Apr 2026

Defects and defect-mediated engineering of two-dimensional materials: challenges and open questions

  • Arkady V. Krasheninnikov,
  • Matthias Batzill,
  • Anouar-Akacha Delenda,
  • Marija Drndić,
  • Chris Ewels,
  • Katharina J. Franke,
  • Mahdi Ghorbani-Asl,
  • Alexander Holleitner,
  • Ado Jorio,
  • Ute Kaiser,
  • Daria Kieczka,
  • Hannu-Pekka Komsa,
  • Jani Kotakoski,
  • Manuel Längle,
  • David Lamprecht,
  • Yun Liu,
  • Steven G. Louie,
  • Janina Maultzsch,
  • Thomas Michely,
  • Katherine Milton,
  • Anna Niggas,
  • Hanako Okuno,
  • Joshua A. Robinson,
  • Marika Schleberger,
  • Bruno Schuler,
  • Alexander Shluger,
  • Kazu Suenaga,
  • Kristian S. Thygesen,
  • Richard A. Wilhelm,
  • E. Harriet Åhlgren and
  • Carla Bittencourt

Beilstein J. Nanotechnol. 2026, 17, 454–488, doi:10.3762/bjnano.17.31

Graphical Abstract
  • detection of the inelastic contribution. On the one hand, the small energy scale of at most a few millielectronvolts requires very low temperatures; on the other hand, the change in conductance depends on the excitation efficiency and the density of states at the Fermi level. Hence, detection of magnetic
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Published 31 Mar 2026

Geometry-controlled engineering of the low-temperature proximity effect in normal metal–superconductor junctions

  • Munisa A. Tomayeva,
  • Vyacheslav D. Neverov,
  • Andrey V. Krasavin,
  • Alexei Vagov and
  • Mihail D. Croitoru

Beilstein J. Nanotechnol. 2025, 16, 2265–2273, doi:10.3762/bjnano.16.155

Graphical Abstract
  • to it. This phenomenon, known as the proximity effect, enables normal material to support supercurrents and to exhibit a reduced density of states near the Fermi level, where a gap opens in the single-particle spectrum as electrons form into Cooper pairs [1][2][3][4]. At the same time, unpaired
  • scales, the proximity effect is determined by the shorter of these two length scales [37][38][39]. These results have been obtained for materials and samples with strictly defined dimensionality. In systems with quasi-low dimensionality or multiband materials, where the single-particle density of states
  • being in resonance with the peak in the single-particle density of states at ne = 1. The order parameter Δij = Δiδij and the Hartree potential Ui are determined from the self-consistency equations. For the order parameter, we have [50] where Fi is a pair amplitude, and for the Hartree potential with
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Published 12 Dec 2025

Chiral plasmonic nanostructures fabricated with circularly polarized light

  • Tian Qiao and
  • Ming Lee Tang

Beilstein J. Nanotechnol. 2025, 16, 2245–2264, doi:10.3762/bjnano.16.154

Graphical Abstract
  • accelerate photochemical reactions by promoting the photoexcitation of a reactant through the high photonic local density of states (LDOS). As discussed previously, CPL induces a dissymmetric EM field distribution on PNSs (Figure 2 left). This results in faster chemical conversions (several orders of
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Published 08 Dec 2025

Electron transport through nanoscale multilayer graphene and hexagonal boron nitride junctions

  • Aleksandar Staykov and
  • Takaya Fujisaki

Beilstein J. Nanotechnol. 2025, 16, 2132–2143, doi:10.3762/bjnano.16.147

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  • h-BN with Stone–Wales defect. For graphite and bulk h-BN, we adopt a graphite unit cell with A–B stacking consisting of two layers and two atoms per layer. We perform geometry optimization, density of states (DOS) calculations, and band structure calculations. For graphite and h-BN with Stone–Wales
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Published 24 Nov 2025

Quantum circuits with SINIS structures

  • Mikhail Tarasov,
  • Mikhail Fominskii,
  • Aleksandra Gunbina,
  • Artem Krasilnikov,
  • Maria Mansfeld,
  • Dmitrii Kukushkin,
  • Andrei Maruhno,
  • Valeria Ievleva,
  • Mikhail Strelkov,
  • Daniil Zhogov,
  • Konstantin Arutyunov,
  • Vyacheslav Vdovin,
  • Vladislav Stolyarov and
  • Valerian Edelman

Beilstein J. Nanotechnol. 2025, 16, 1931–1941, doi:10.3762/bjnano.16.134

Graphical Abstract
  • current occurs when eV > Δ. In the case when T ≠ 0 the I–V curve will be smeared [22]. The current–voltage characteristic of a tunnel NIS junction is determined by the following formula [23]: where Rn is the asymptotic resistance of the tunnel junction, NS(E) is the density of states in the superconductor
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Published 04 Nov 2025

Electrical, photocatalytic, and sensory properties of graphene oxide and polyimide implanted with low- and medium-energy silver ions

  • Josef Novák,
  • Eva Štěpanovská,
  • Petr Malinský,
  • Vlastimil Mazánek,
  • Jan Luxa,
  • Ulrich Kentsch and
  • Zdeněk Sofer

Beilstein J. Nanotechnol. 2025, 16, 1794–1811, doi:10.3762/bjnano.16.123

Graphical Abstract
  • bandgap and an increased density of states near the Fermi level, promotes absorption in the visible region and facilitates the generation of electron–hole (e−–h+) pairs upon light irradiation. The silver clusters also exhibit plasmonic resonances, which amplify the local electromagnetic field and promote
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Published 13 Oct 2025

Automated collection and categorisation of STM images and STS spectra with and without machine learning

  • Dylan Stewart Barker and
  • Adam Sweetman

Beilstein J. Nanotechnol. 2025, 16, 1367–1379, doi:10.3762/bjnano.16.99

Graphical Abstract
  • properties of surfaces and molecules with atomic precision. This opens up the ability to map the local density of states (LDOS) of a sample with high spatial resolution [1][2][3]. Peaks within a map of the LDOS correspond to increases in conductance at specific bias values, revealing the energy levels of key
  • results [4][5][6][7]. STS measurements are the result of an integration over the available density of states (DOS) in both the tip and the sample, with the current measured therefore being proportional to the convolution of two. To isolate the DOS of the sample, it is crucial that the tip has a nominally
  • “flat” DOS, which is typically achieved by using a purely metallic tip. However, most tips do not demonstrate a perfectly flat local density of states (LDOS) as they have a complex electronic structure governed by the geometry of the metallic cluster at the tip apex [8][9][10][11][12]. Non-metallic
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Published 18 Aug 2025

Electronic and optical properties of chloropicrin adsorbed ZnS nanotubes: first principle analysis

  • Prakash Yadav,
  • Boddepalli SanthiBhushan and
  • Anurag Srivastava

Beilstein J. Nanotechnol. 2025, 16, 1184–1196, doi:10.3762/bjnano.16.87

Graphical Abstract
  • functional theory (DFT) to explore the sensing capabilities of a ZnS (3,3) nanotube (ZnS NT) for detecting chloropicrin (CP, CCl3NO2), a highly toxic gas. To elucidate the sensing mechanism, we systematically analyze the adsorption configurations, Mulliken charge transfer, band structure, density of states
  • highly toxic chemical warfare agent, remains an area with untapped potential. Addressing this gap, the present work constructs an armchair ZnS NT to investigate its adsorption configurations, charge transfer, band structure, density of states, optical absorption, and optical conductivity using a density
  • correspond to the maximum structural deformation caused by CP physisorption. These results are consistent with the adsorption energy trends. Band structures and density of states analysis The electronic properties of ZnS NT in the presence of CP molecules are analyzed with the help of band structure, total
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Published 25 Jul 2025

High-temperature epitaxial growth of tantalum nitride thin films on MgO: structural evolution and potential for SQUID applications

  • Michelle Cedillo Rosillo,
  • Oscar Contreras López,
  • Jesús Antonio Díaz,
  • Agustín Conde Gallardo and
  • Harvi A. Castillo Cuero

Beilstein J. Nanotechnol. 2025, 16, 690–699, doi:10.3762/bjnano.16.53

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  • and chemical properties, including ultrahardness (comparable to that of diamond) and high melting points around 3000 °C. These properties can be qualitatively understood by observing that the Fermi energy falls within a pronounced minimum of the density of states [7]. Some reports have shown that TaN
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Published 22 May 2025

Water in nanoporous hexagonal boron nitride nanosheets: a first-principles study

  • Juliana A. Gonçalves,
  • Ronaldo J. C. Batista and
  • Marcia C. Barbosa

Beilstein J. Nanotechnol. 2025, 16, 510–519, doi:10.3762/bjnano.16.39

Graphical Abstract
  • strong affinity between the rhombic pore and the water molecule. Notably, this affinity is much higher than that observed in triangular pores, as we will discuss. Figure 5 illustrates the density of states (DOS) for an isolated water molecule and the DOS of a system comprising a water molecule
  • directed away from the monolayer. Density of states of a system composed of water and rhombic pore (black line), isolated water molecule (red line), and projected density (PDOS) for the water molecule in the composite system (violet line). Distances between water molecule atoms and a hydrogen atom at N–H
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Published 11 Apr 2025

Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster

  • Joel Antúnez-García,
  • Roberto Núñez-González,
  • Vitalii Petranovskii,
  • H’Linh Hmok,
  • Armando Reyes-Serrato,
  • Fabian N. Murrieta-Rico,
  • Mufei Xiao and
  • Jonathan Zamora

Beilstein J. Nanotechnol. 2025, 16, 44–53, doi:10.3762/bjnano.16.5

Graphical Abstract
  • the rest of electronic states as valence states. For integration in the reciprocal space, a 3 × 3 × 3 mesh (14 k-points in the irreducible Brillouin Zone (IBZ)) is used during the self-consistent cycle, and a 6 × 6 × 6 mesh (112 k-points in IBZ) for the calculation of density of states and optical
  • zeolite, which exhibits no magnetic behavior. Notably, a pair of bands at 4.5 and 5.2 eV emerge within the forbidden zone. Previous research [60] has shown that these bands arise from the Na–O interaction and make a relatively low contribution to the total density of states (TDOS). In Figure 3b, when the
  • of the isolated cluster. Given the observed structural modifications of the cluster when integrated into the zeolite (Figure 2), it is expected that its electronic properties would also undergo changes. Figure 4a displays the total density of states (TDOS) for the NaA zeolite, featuring a primary
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Published 17 Jan 2025

Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

  • Kamal Kumar,
  • Nora H. de Leeuw,
  • Jost Adam and
  • Abhishek Kumar Mishra

Beilstein J. Nanotechnol. 2024, 15, 1440–1452, doi:10.3762/bjnano.15.116

Graphical Abstract
  • , we performed EBS and density of states (DOS) calculations (Figure 1) alongside projected orbital calculations of the different atoms to understand their contributions to the electronic states. Our calculations reveal no gap between the energy bands in both ψ-graphene and ψ-graphone (Figure 1a,b
  • ), with finite states present at the Fermi level (Ef). The dominant energy orbitals in the projected density of states (PDOS) of ψ-graphene and ψ-graphone are the outermost C 2p orbitals. In the fully hydrogenated form, that is, in ψ-graphane, we note a discernible separation of 3.78 eV between the
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Published 20 Nov 2024

Quantum-to-classical modeling of monolayer Ge2Se2 and its application in photovoltaic devices

  • Anup Shrivastava,
  • Shivani Saini,
  • Dolly Kumari,
  • Sanjai Singh and
  • Jost Adam

Beilstein J. Nanotechnol. 2024, 15, 1153–1169, doi:10.3762/bjnano.15.94

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  • Ge2Se2 using its electronic band structure and density of states, as shown in Figure 3. To maintain a high degree of accuracy, we calculated the band structure using the HSE06 functional, and the band dispersion along the high symmetry paths Γ-X-S-Y-Γ in the first Brillouin zone, as shown in Figure 3
  • valleys provides extra carrier pockets for transportation, further increasing carrier mobility. Also, the larger valley degeneracy will increase the density of states (DOS) effective mass without influencing the carrier mobility. We have also calculated the total DOS to understand and justify the band
  • ), conduction/valence band density of states, electron/hole mobility, electron affinity, and work function can be derived from the initial band energy calculation. We calculated the effective masses of electrons and holes as = 0.167me and = 0.1768me, respectively, which are very close to the values ( = 0.17me
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Published 11 Sep 2024

Electron-induced ligand loss from iron tetracarbonyl methyl acrylate

  • Hlib Lyshchuk,
  • Atul Chaudhary,
  • Thomas F. M. Luxford,
  • Miloš Ranković,
  • Jaroslav Kočišek,
  • Juraj Fedor,
  • Lisa McElwee-White and
  • Pamir Nag

Beilstein J. Nanotechnol. 2024, 15, 797–807, doi:10.3762/bjnano.15.66

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  • higher vibrational density of states. It is well established that, upon vertical electron removal, which can create a cation in many different electronic states, the cation relaxes to its electronic ground state on an ultrafast timescale (typically via a series of conical intersections). The excess
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Published 03 Jul 2024

Exploring disorder correlations in superconducting systems: spectroscopic insights and matrix element effects

  • Vyacheslav D. Neverov,
  • Alexander E. Lukyanov,
  • Andrey V. Krasavin,
  • Alexei Vagov,
  • Boris G. Lvov and
  • Mihail D. Croitoru

Beilstein J. Nanotechnol. 2024, 15, 199–206, doi:10.3762/bjnano.15.19

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  • superconducting systems, going beyond the traditional assumption of spatially uncorrelated disorder. In particular, we investigate the influence of disorder correlations on key spectroscopic superconductor properties, including the density of states, as well as on the matrix elements of the superconducting
  • disordered amorphous superconductors [50] revealed that in the regime of superconductor–insulator transition the superconducting gap is stable, whereas the coherence peaks in the single-particle density of states (DOS) disappear. Following this observation, it was suggested that the system exhibits
  • decreasing α, as demonstrated when comparing the results for α = 0 and α = 2. Furthermore, another distinct feature of the state behavior becomes apparent: In the context of uncorrelated disorder, the emergence of density of states into coherent peaks occurs at a slower rate. This gradual ascent aligns with
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Published 12 Feb 2024

CdSe/ZnS quantum dots as a booster in the active layer of distributed ternary organic photovoltaics

  • Gabriela Lewińska,
  • Piotr Jeleń,
  • Zofia Kucia,
  • Maciej Sitarz,
  • Łukasz Walczak,
  • Bartłomiej Szafraniak,
  • Jerzy Sanetra and
  • Konstanty W. Marszalek

Beilstein J. Nanotechnol. 2024, 15, 144–156, doi:10.3762/bjnano.15.14

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  • : The imaginary part function is described by: where Eg is the band gap of the material, E0 is the peak in the joint density of states, Θ is the Heaviside theta function, Γ is the broadening parameter, and A is a prefactor. The refractive indices and extinction coefficients as functions of the
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Published 02 Feb 2024

Density functional theory study of Au-fcc/Ge and Au-hcp/Ge interfaces

  • Olga Sikora,
  • Małgorzata Sternik,
  • Benedykt R. Jany,
  • Franciszek Krok,
  • Przemysław Piekarz and
  • Andrzej M. Oleś

Beilstein J. Nanotechnol. 2023, 14, 1093–1105, doi:10.3762/bjnano.14.90

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  •  9a. Figure 10 presents the electron density of states (EDOS) for Au and Ge atoms (averaged over all atoms in layers adjacent to the interface). These results are compared to the bulk density of states. Small differences in the bulk phase between Au-fcc and Au-hcp can be seen from the plots. First of
  • all, the electron density at the Fermi level is finite for the Ge atoms, making the interface region metallic (we observe this effect also for other Ge layers with only a slight decrease in the density of states with the distance from the interface). In contrast, the EDOS for gold atoms remains
  • considered. Electron density of states calculations and charge density distribution maps performed for the experimentally observed heterostructures demonstrate that the interface region becomes metallic; yet, covalent-like Ge–Au bonding states between the interface atoms are also formed. Each interfacial Ge
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Published 15 Nov 2023

Cross-sectional Kelvin probe force microscopy on III–V epitaxial multilayer stacks: challenges and perspectives

  • Mattia da Lisca,
  • José Alvarez,
  • James P. Connolly,
  • Nicolas Vaissiere,
  • Karim Mekhazni,
  • Jean Decobert and
  • Jean-Paul Kleider

Beilstein J. Nanotechnol. 2023, 14, 725–737, doi:10.3762/bjnano.14.59

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  • of defects extending into the volume is physically more appropriate than a simpler two-dimensional surface distribution [23]. The introduced defect volume density of states (DOS), N(E) (eV−1·cm−3), is assumed to be homogeneous throughout the thickness of the defective layer, tDL, which we took equal
  • to 1 nm. This can be translated into a surface density of states Nss(E) (eV−1·cm−2): Nss(E) = N(E) × tDL, with tDL = 1 × 10−7 cm. In addition, the DOS consists of the sum of two distributions of monovalent donor and acceptor states, ND(E) and NA(E), respectively: N(E) = ND(E) + NA(E). These determine
  • significant surface band bending) a SPV signal close to zero is expected to be measured [20]. We therefore expect a vanishing SPV signal in the highly doped n-type InP substrate, which is degenerately doped at 5 × 1018 cm–3 with respect to the InP effective conduction band density of states (5.7 × 1017 cm–3
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Published 14 Jun 2023

Metal-organic framework-based nanomaterials as opto-electrochemical sensors for the detection of antibiotics and hormones: A review

  • Akeem Adeyemi Oladipo,
  • Saba Derakhshan Oskouei and
  • Mustafa Gazi

Beilstein J. Nanotechnol. 2023, 14, 631–673, doi:10.3762/bjnano.14.52

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  • already described, the following is a brief outline of some of the desirable qualities of MOFs that are required for developing opto-electrochemical sensors. Electronic properties: Electrostatic potential, density of states, electron density, bandgap, and conductivity are some of a MOF’s crucial
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Published 01 Jun 2023

Transferability of interatomic potentials for silicene

  • Marcin Maździarz

Beilstein J. Nanotechnol. 2023, 14, 574–585, doi:10.3762/bjnano.14.48

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  • -buckled (LBS): hP2, , no.164, (c) trigonal dumbbell (TDS): hP7, , no.189, (d) honeycomb dumbbell (HDS): hP8, P6/mmm, no.191, (e) large honeycomb dumbbell (LHDS): hP10, P6/mmm, no.191. Phonon dispersion and density of states (DOS): (a) the flat (FS), (b) low-buckled (LBS), (c) trigonal dumbbell (TDS), (d
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Published 08 May 2023

Plasmonic nanotechnology for photothermal applications – an evaluation

  • A. R. Indhu,
  • L. Keerthana and
  • Gnanaprakash Dharmalingam

Beilstein J. Nanotechnol. 2023, 14, 380–419, doi:10.3762/bjnano.14.33

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  • ultimate conversion of electron scattering into heat. The energy distribution of hot carriers (which decides the relaxation times) depends on the electronic band structure [78], particle size, density of states, and the geometry of nanoparticles [79]. Figure 12 shows the vast differences in the population
  • Au films from 40 nm increases hot carrier generation through increased intraband transitions as well as due to an asymmetric density of states distribution. Hence, hot carrier generation and lifetimes depend on the material, particle size and shape, as well as the distribution of the density of
  • states [81]. Figure 13 illustrates the relaxation process of the phonon vibration for a better understanding of phonon dynamics. The electron–phonon coupling constant, which describes the potential of a material for undergoing lattice heating, is calculated by transient reflectivity studies, for example
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Published 27 Mar 2023

Spin dynamics in superconductor/ferromagnetic insulator hybrid structures with precessing magnetization

  • Yaroslav V. Turkin and
  • Nataliya Pugach

Beilstein J. Nanotechnol. 2023, 14, 233–239, doi:10.3762/bjnano.14.22

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  • a standard procedure [29]: where is the spin operator in electron–hole–spin space, g is the gyromagnetic ratio for free electrons, μB is the Bohr magneton, N0 is the density of states at the Fermi level, and is the Fourier–Winger transform of the Green’s function [29][30] The expression for the
  • one takes into account also the density of states correction, which is beyond the scope of the current paper. Thus, the effect of spin distribution function splitting can be revealed in superconducting hybrid systems with nonequilibrium electron–hole distributions such as superconductor/normal metal
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Published 21 Feb 2023

Frontiers of nanoelectronics: intrinsic Josephson effect and prospects of superconducting spintronics

  • Anatolie S. Sidorenko,
  • Horst Hahn and
  • Vladimir Krasnov

Beilstein J. Nanotechnol. 2023, 14, 79–82, doi:10.3762/bjnano.14.9

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  • –ferromagnet–superconductor (SFS) structures have been predicted and calculated [26]. A quantitative study of the density of states (DOS) in bulk superconductor/ferromagnetic (S/F) bilayers in the diffusive limit has been presented. In addition, an analysis of the dependencies of DOS on magnetic and spin–orbit
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Editorial
Published 10 Jan 2023
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