Publication
Title
Au-MoS₂ contacts : quantum transport simulations using a continuum description
Author
Abstract
We present a novel method of modeling the contact between a metal and a two-dimensional semiconductor. Using Au on MoS2 as an example, we self-consistently solve the Schrodinger and Poisson equations and obtain the charge density in the contact. We consider open boundary conditions using the quantum transmitting boundary method and model the electron current through the contact region. We then investigate the effect of effective Schottky barrier height, electrostatic doping, and length of the overlap region on the contact resistance in a top contact geometry. By using data from experiments or from ab initio calculations for the fitting of parameters, such as the effective Schottky barrier height, the model can be used to efficiently obtain the contact resistance and, therefore, the quality of the contact. Furthermore, we investigate the effect of sampling of the Brillouin zone in the transverse direction on the numerical calculation of key quantities, such as contact resistance and free charge density. Additionally, we show that the boundary conditions applied to the Poisson equation during the calculation of the free charge density have a significant impact on the calculated contact resistance and that the impact is more pronounced in heterostructures with a larger Schottky barrier. We found that the contact resistance may be significantly underestimated, by up to one order of magnitude, when the height of the simulation domain is not large enough.
Language
English
Source (journal)
Journal of applied physics / American Institute of Physics. - New York, N.Y., 1937, currens
Publication
New York, N.Y. : American Institute of Physics , 2023
ISSN
0021-8979 [print]
1089-7550 [online]
DOI
10.1063/5.0162241
Volume/pages
134 :9 (2023) , p. 1-12
Article Reference
095702
ISI
001133774400008
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identifier
Creation 04.03.2024
Last edited 15.03.2024
To cite this reference