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Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - GOLLUM
T2 - a next-generation simulation tool for electron, thermal and spin transport
AU - Ferrer, J.
AU - Lambert, Colin
AU - Garcia-Suarez, V. M.
AU - Manrique, D. Zs
AU - Visontai, D.
AU - Oroszlany, L.
AU - Rodriguez-Ferradas, R.
AU - Grace, I.
AU - Bailey, S. W. D.
AU - Gillemot, K.
AU - Sadeghi, Hatef
AU - Algharagholy, L. A.
N1 - Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
PY - 2014/9/23
Y1 - 2014/9/23
N2 - We have developed an efficient simulation tool 'GOLLUM' for the computation of electrical, spin and thermal transport characteristics of complex nanostructures. The new multi-scale, multi-terminal tool addresses a number of new challenges and functionalities that have emerged in nanoscale-scale transport over the past few years. To illustrate the flexibility and functionality of GOLLUM, we present a range of demonstrator calculations encompassing charge, spin and thermal transport, corrections to density functional theory such as local density approximation + U ( LDA+ U) and spectral adjustments, transport in the presence of non-collinear magnetism, the quantum Hall effect, Kondo and Coulomb blockade effects, finite-voltage transport, multi-terminal transport, quantum pumps, superconducting nanostructures, environmental effects, and pulling curves and conductance histograms for mechanically-controlled break-junction experiments.
AB - We have developed an efficient simulation tool 'GOLLUM' for the computation of electrical, spin and thermal transport characteristics of complex nanostructures. The new multi-scale, multi-terminal tool addresses a number of new challenges and functionalities that have emerged in nanoscale-scale transport over the past few years. To illustrate the flexibility and functionality of GOLLUM, we present a range of demonstrator calculations encompassing charge, spin and thermal transport, corrections to density functional theory such as local density approximation + U ( LDA+ U) and spectral adjustments, transport in the presence of non-collinear magnetism, the quantum Hall effect, Kondo and Coulomb blockade effects, finite-voltage transport, multi-terminal transport, quantum pumps, superconducting nanostructures, environmental effects, and pulling curves and conductance histograms for mechanically-controlled break-junction experiments.
KW - electronic transport
KW - nano-scale systems
KW - modeling and simulation
KW - GIANT MAGNETORESISTANCE
KW - MOLECULAR ELECTRONICS
KW - ANDREEV SCATTERING
KW - GRAPHENE NANOPORES
KW - MEMBRANE CHANNEL
KW - DNA
KW - CONDUCTANCE
KW - SUPERCONDUCTORS
KW - NANOSTRUCTURES
KW - APPROXIMATION
U2 - 10.1088/1367-2630/16/9/093029
DO - 10.1088/1367-2630/16/9/093029
M3 - Journal article
VL - 16
JO - New Journal of Physics
JF - New Journal of Physics
SN - 1367-2630
IS - 9
M1 - 093029
ER -