Nonequilibrium electron transport in two-dimensional nanostructures modeled using Green’s functions and the finite-element method
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© 2004 American Physical Society (APS). This is the accepted version of the following article: Havu, P. & Havu, V. & Puska, M. J. & Nieminen, R. M. 2004. Nonequilibrium electron transport in two-dimensional nanostructures modeled using Green’s functions and the finite-element method. Physical Review B. Volume 69, Issue 11. 115325/1-13. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.69.115325, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.69.115325.
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Date
2004
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Mcode
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Language
en
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115325/1-13
Series
Physical Review B, Volume 69, Issue 11
Abstract
We use the effective-mass approximation and the density-functional theory with the local-density approximation for modeling two-dimensional nanostructures connected phase coherently to two infinite leads. Using the nonequilibrium Green’s-function method the electron density and the current are calculated under a bias voltage. The problem of solving for the Green’s functions numerically is formulated using the finite-element method (FEM). The Green’s functions have nonreflecting open boundary conditions to take care of the infinite size of the system. We show how these boundary conditions are formulated in the FEM. The scheme is tested by calculating transmission probabilities for simple model potentials. The potential of the scheme is demonstrated by determining nonlinear current-voltage behaviors of resonant tunneling structures.Description
Keywords
nanostructures, electron density, current
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Citation
Havu, P. & Havu, V. & Puska, M. J. & Nieminen, R. M. 2004. Nonequilibrium electron transport in two-dimensional nanostructures modeled using Green’s functions and the finite-element method. Physical Review B. Volume 69, Issue 11. 115325/1-13. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.69.115325.