Mobility edge phenomenon in a Hubbard chain: A mean field study

Maiti, Santanu K.; Nitzan, Abraham

doi:10.1016/j.physleta.2013.03.013

Cited by 22 publications

(25 citation statements)

References 34 publications

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“…Given that the major differences between OPV binary and ternary blends come from variation in the donor material composition, we focused our investigation on hole transport, hypothesized to primarily occur in the donor region of OPVs 8 by hopping. Charge transfer parameters for hopping transport in semiconducting systems are commonly computed using either constrained DFT (CDFT), [82][83][84] excited state wavefunction methods, 85 or model Hamiltonians, [86][87][88] and then subsequently used to estimate transfer rate using, e.g. Marcus theory.…”

Section: Methodsmentioning

confidence: 99%

Planarity and multiple components promote organic photovoltaic efficiency by improving electronic transport

Goldey

Reid

Pablo

et al. 2016

Phys. Chem. Chem. Phys.

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Establishing how the conformation of organic photovoltaic (OPV) polymers affects their electronic and transport properties is critical in order to determine design rules for new OPV materials and in particular to understand the performance enhancements recently reported for ternary blends. We report coupled classical and ab initio molecular dynamics simulations showing that polymer linkage twisting significantly reduces optical absorption efficiency, as well as hole transport rates in donor polymers. We predict that blends with components favoring planar geometries contribute to the enhancement of the overall efficiency of ternary OPVs. Furthermore, our electronic structure calculations for the PTB7-PID2-PC71BM system show that hole transfer rates are enhanced in ternary blends with respect to their binary counterpart. Finally, our results point at thermal disorder in the blend as a key reason responsible for device voltage losses and at the need to carry out electronic structure calculations at finite temperature to reliably compare with experiments.

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Section: Methodsmentioning

confidence: 99%

Planarity and multiple components promote organic photovoltaic efficiency by improving electronic transport

Goldey

Reid

Pablo

et al. 2016

Phys. Chem. Chem. Phys.

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“…In presence of a finite bias V between the source and drain, an electric field is developed across the chain and hence its site energies are voltage dependent 19,20 . It gives…”

Section: Model and Theoretical Frameworkmentioning

confidence: 99%

“…The dependence of ǫ i (V ) is associated with electron screening as well as bare electric field at the junction. In the absence of any screening electric field is uniform across the junction 19,20 which makes ǫ i (V ) = V /2 − iV /(N + 1) (linear variation, red line of Fig. 2) for a N -site chain.…”

Section: Model and Theoretical Frameworkmentioning

confidence: 99%

High degree of current rectification at nanoscale level

Saha¹,

Maiti²

2017

Physica E: Low-dimensional Systems and Nanostructures

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We address an unexpectedly large rectification using a simple quantum wire with correlated site potentials. The external electric field, associated with voltage bias, leads to unequal charge currents for two different polarities of external bias and this effect is further enhanced by incorporating the asymmetry in wire-to-electrode coupling. Our calculations suggest that in some cases almost cent percent rectification is obtained for a wide bias window. This performance is valid against disorder configurations and thus we can expect an experimental verification of our theoretical analysis in near future.

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“…It is well known that for an infinite one-dimensional (1D) random (uncorrelated) disordered lattice all states are localized irrespective of disorder strength W 1,2 . As for this system the critical disorder strength is zero one never expects any kind of localization-to-delocalization transition upon the variation of W , which circumvents the appearance of mobility edge (ME) [3][4][5] in energy band spectrum that separates a conducting zone from the localized one. The existence of mobility edge always draws significant impact particularly in the aspect of its applications in designing possible electronic devices like switching action, current transfer processes, and to name a few.…”

Section: Introductionmentioning

confidence: 99%

Unconventional localization phenomena in a spatially non-uniform disordered material

Banerjee

Mal²,

Maiti

2019

Physica E: Low-dimensional Systems and Nanostructures

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A completely opposite behavior of electronic localization is revealed in a spatially non-uniform disordered material compared to the traditional spatially uniform disordered one. This fact is substantiated by considering an order-disorder separated (ODS) nanotube and studying the response of non-interacting electrons in presence of magnetic flux. We critically examine the behavior of flux induced energy spectra and circular current for different band fillings, and it is observed that maximum current amplitude (MCA) gradually decreases with disorder strength for weak disorder regime, while surprisingly it (MCA) increases in the limit of strong disorder suppressing the effect of disorder, resulting higher conductivity. This is further confirmed by investigating Drude weight and exactly same anomalous feature is noticed. It clearly gives a hint that localization-to-delocalization transition (LTD) is expected upon the variation of disorder strength which is justified by analyzing the nature of different eigenstates. Our analysis may give some significant inputs in analyzing conducting properties of different doped materials.

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Mobility edge phenomenon in a Hubbard chain: A mean field study

Cited by 22 publications

References 34 publications

Planarity and multiple components promote organic photovoltaic efficiency by improving electronic transport

Planarity and multiple components promote organic photovoltaic efficiency by improving electronic transport

High degree of current rectification at nanoscale level

Unconventional localization phenomena in a spatially non-uniform disordered material

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