Multi-scale Simulations of Metal-Semiconductor Nanoscale Contacts

M Aldegunde, S P Hepplestone, P V Sushko, K Kalna
2015 Journal of Physics, Conference Series  
An electron transport simulations via a metal-semiconductor interface is carried out using multi-scale approach by coupling ab-initio calculations with 3D finite element ensemble Monte Carlo technique. The density functional theory calculations of the Mo/GaAs (001) interface show electronic properties of semiconductor dramatically change close to the interface having a strong impact on the transport. Tunnelling barrier lowers and widens due to a band gap narrowing near the interface reducing
more » ... terface reducing resistivity by more than one order of magnitude: from 2.1 × 10 −8 Ω.cm 2 to 4.7 × 10 −10 Ω.cm 2 . The dependence of electron effective mass from the distance to the interface also plays a role bringing resistivity to 7.9 × 10 −10 Ω.cm 2 .
doi:10.1088/1742-6596/647/1/012030 fatcat:jq26jofo7rfhrikzadvsumbb6a