2020 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) 2020
DOI: 10.23919/sispad49475.2020.9241606
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A Combined First Principles and Kinetic Monte Carlo study of Polyoxometalate based Molecular Memory Devices

Abstract: In this paper, we combine Density Functional Theory with Kinetic Monte Carlo methodology to study the fundamental transport properties of a type of polyoxometalate (POM) and its behaviour in a potential flash memory device. DFT simulations on POM molecular junctions helps us demonstrate the link between underlying electronic structure of the molecule and its transport properties. Furthermore, we show how various electrodemolecule contact configurations determine the electron transport through the POM. Also, ou… Show more

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Cited by 2 publications
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“…Finally, different enhanced modules and solvers [22] are currently under development in NESS including: density gradient; extension of the KG module [34] to consider ionized impurity and alloy scattering mechanisms; implementation of surface roughness scattering mechanism in the existing NEGF module [42]; Kinetic MC solver [43,44] for the simulation of memory devices; and a module to compute the gate leakage current.…”
Section: Overview Of Nessmentioning
confidence: 99%
“…Finally, different enhanced modules and solvers [22] are currently under development in NESS including: density gradient; extension of the KG module [34] to consider ionized impurity and alloy scattering mechanisms; implementation of surface roughness scattering mechanism in the existing NEGF module [42]; Kinetic MC solver [43,44] for the simulation of memory devices; and a module to compute the gate leakage current.…”
Section: Overview Of Nessmentioning
confidence: 99%