A One-Dimensional Effective Model for Nanotransistors in Landauer–Büttiker Formalism

Wulf, Ulrich

doi:10.3390/mi11040359

Cited by 10 publications

(4 citation statements)

References 49 publications

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“…First, electrodes and scattering region were relaxed separately and then relaxed again after assembly. PLDOS analysis was performed using nonequilibrium Green's function (NEGF) methodology [12,13] in the Landauer-Buttiker regime, [47] with PBE-GGA-calculated orbitals as an input. The k-point mesh was set to 4 Â 4 Â 150 for the DFT orbitals calculations and 7 Â 7 Â 150 for the PLDOS and photocurrents with 125 Ha density mesh cutoff.…”

Section: Methodsmentioning

confidence: 99%

Annealing Rate as a Crucial Parameter Controlling the Photoelectrochemical Properties of AuCu Mosaic Core–Shell Nanoparticles

et al. 2022

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Thermal processing is an essential step during the synthesis of various metal nanostructures and for tailoring their morphology, optical, and electrochemical properties. Herein, a profound impact of the annealing rate and time on photoactivity of gold–copper nanostructures by changes in the position and alignment of energy levels and surface states is reported. AuCu nanoparticles (NPs) are fabricated by sputtering of thin metal layers on the Ti nanopatterned foil followed by slow (0.67 °C s−1) or fast (30 °C s−1) treatment in the rapid thermal annealing furnace and then utilized as photoanodes. Photocurrent in the visible range of the slow‐heated AuCu materials is 77 times higher, whereas for the fast heated 24 times higher than for pure Ti platform. On the other hand, the fast‐heated material exhibits higher photon‐to‐current efficiency, longer recombination rate which reaches 10s, and higher carrier transport rate of 150 μs. Based on the simulated projected local density of states analysis and the characteristics of intensity‐modulated spectra, this phenomenon is attributed to the presence of deeper midgap states in the electronic band structure for the fast‐heated samples. Furthermore, photocurrent is enhanced by the presence of Au inside NPs, which increases tunneling across copper oxides junction.

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Section: Methodsmentioning

confidence: 99%

Annealing Rate as a Crucial Parameter Controlling the Photoelectrochemical Properties of AuCu Mosaic Core–Shell Nanoparticles

et al. 2022

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“…Since a direct solution of Eq. ( 3) as an initial-value problem along z (the so-called matching method) is known to be poorly-conditioned [40][41][42], we used the R-matrix method instead [41,43] (for details, see Appendix B). Let us start from an analysis of the quantum pressure and surface tension distributions on surfaces of constrictions with different shapes and radii (Fig.…”

Section: Current-enhanced Filament Stability: Numerical Simulationsmentioning

confidence: 99%

“…The R-matrix method we used for the determination of the electron scattering wave function ψ(r, z) in a filament with a profile R(z) (see Eqs. (3), ( 4)) is quite customary in quantum transport simulations [43,45]. This method makes use of a linear integral equation relating the value of the wave function in the scattering domain D (i.e., for z ∈ (0, L), see…”

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confidence: 99%

Stability of quantized conductance levels in memristors with copper filaments: toward understanding the mechanisms of resistive switching

Kharlanov,

Shvetsov,

Rylkov

et al. 2021

Preprint

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Memristors are amongst the most promising elements for modern microelectronics, having unique properties such as quasi-continuous change of conductance and long-term storage of resistive states.However, identifying the physical mechanisms of resistive switching and evolution of conductive filaments in such structures still remains a major challenge. In this work, aiming at a better understanding of these phenomena, we experimentally investigate an unusual effect of enhanced conductive filament stability in memristors with copper filaments under the applied voltage and present a simplified theoretical model of the effect of a quantum current through a filament on its shape. Our semi-quantitative, continuous model predicts, indeed, that for a thin filament, the "quantum pressure" exerted on its walls by the recoil of charge carriers can well compete with the surface tension and crucially affect the evolution of the filament profile at the voltages around 1 V. At lower voltages, the quantum pressure is expected to provide extra stability to the filaments supporting quantized conductance, which we also reveal experimentally using a novel methodology focused on retention statistics. Our results indicate that the recoil effects could potentially be important for resistive switching in memristive devices with metallic filaments and that taking them into account in rational design of memristors could help achieve their better retention and plasticity characteristics.

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“…The Landauer–Büttiker formalism 7 is based on the single-step tunneling transmission from one set of electrode electronic levels to the other. On the other hand, the Marcus 8 model describes the process of tunneling between redox levels of the molecules inside the junction.…”

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confidence: 99%

Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions

Olejnik

Dec

Goddard

et al. 2022

J. Phys. Chem. Lett.

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Mechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current–voltage ( I – V ) simulations show that hydrogen bonding through electron-donating hydroxyl groups in the aromatic linker facilitates electron transfer, while the electron-withdrawing carboxyl group inhibits electron transfer across the junction. Moreover, slight variations in the geometry of hydrogen bonding lead to significant changes in the alignment of the energy levels and positions of the transmission modes. As a result, we observe the switching of the electron transport mechanism from tunneling to hopping accompanied by a change in the shape of the I – V curves and current magnitudes. These results give important information on the tailoring of the electronic properties of molecular junctions.

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A One-Dimensional Effective Model for Nanotransistors in Landauer–Büttiker Formalism

Cited by 10 publications

References 49 publications

Annealing Rate as a Crucial Parameter Controlling the Photoelectrochemical Properties of AuCu Mosaic Core–Shell Nanoparticles

Annealing Rate as a Crucial Parameter Controlling the Photoelectrochemical Properties of AuCu Mosaic Core–Shell Nanoparticles

Stability of quantized conductance levels in memristors with copper filaments: toward understanding the mechanisms of resistive switching

Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions

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