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Multi-Scale Simulation of Transport via a Mo/n+-GaAs Schottky Contact

Published online by Cambridge University Press:  18 September 2013

Manuel Aldegunde ,
Steven P. Hepplestone ,
Peter V. Sushko  and
Karol Kalna
Manuel Aldegunde
Affiliation:
Electronic Systems Design Centre, College of Engineering, Swansea University, Swansea SA2 8PP, Wales, U.K.
Steven P. Hepplestone
Affiliation:
Department of Physics and Astronomy and London Centre for Nanotechnology, University College London, Gower Street, London WC1E 6BT, U.K.
Peter V. Sushko
Affiliation:
Department of Physics and Astronomy and London Centre for Nanotechnology, University College London, Gower Street, London WC1E 6BT, U.K.
Karol Kalna
Affiliation:
Electronic Systems Design Centre, College of Engineering, Swansea University, Swansea SA2 8PP, Wales, U.K.
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Abstract

A multi-scale modeling of electron transport via a metal-semiconductor interface is carried out by coupling ab initio calculations with three-dimensional finite element ensemble Monte Carlo simulations. The results for the Mo/GaAs (001) interface show that variations of the electronic properties with the distance from the interface have a strong impact on the transport characteristics. In particular, the calculated tunneling barrier differs dramatically from that of the ideal Schottky model of an abrupt metal-semiconductor interface. The band gap narrowing near the interface lowers resistivity by more than one order of magnitude: from 2.1×10-8 Ωcm² to 4.7×10-10 Ωcm². The dependence of the electron effective mass from the distance to the interface also plays an important role bringing resistivity to 7.9×10-10 Ωcm².

Keywords

simulationelectrical propertieselectronic structure
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1553: Symposium T – Electrical Contacts to Nanomaterials and Nanodevices , 2013 , mrss13-1553-t02-08
Copyright
Copyright © Materials Research Society 2013 

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References

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