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Title: Effect of realistic metal electronic structure on the lower limit of contact resistivity of epitaxial metal-semiconductor contacts

The effect of realistic metal electronic structure on the lower limit of resistivity in [100] oriented n-Si is investigated using full band Density Functional Theory and Semi-Empirical Tight Binding calculations. It is shown that the “ideal metal” assumption may fail in some situations and, consequently, underestimate the lower limit of contact resistivity in n-Si by at least an order of magnitude at high doping concentrations. The mismatch in transverse momentum space in the metal and the semiconductor, the so-called “valley filtering effect,” is shown to be sensitive to the details of the transverse boundary conditions for the unit cells used. The results emphasize the need for explicit inclusion of the metal atomic and electronic structure in the atomistic modeling of transport across metal-semiconductor contacts.
Authors:
;  [1]
  1. Advanced Logic Lab, Samsung Semiconductor R and D Center, Austin, Texas 78754 (United States)
Publication Date:
OSTI Identifier:
22314523
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 105; Journal Issue: 5; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; BOUNDARY CONDITIONS; DENSITY FUNCTIONAL METHOD; ELECTRIC CONTACTS; ELECTRONIC STRUCTURE; EPITAXY; TRANSVERSE MOMENTUM