MIXED-VALENCE TRANSITION METAL COMPLEX BASED INTEGRAL ARCHITECTURE FOR MOLECULAR COMPUTING (I): ATTACHMENT OF LINKER MOLECULE TO SILICON (100) - 2×1 SURFACE
Pei‐Ji Zhao, DWIGHT L. WOOLARD, Jorge M. Seminario, Robert J. Trew · International Journal of High Speed Electronics and Systems · 2006
Based on density functional theory, we have calculated and analyzed the electrical characteristics of silicon (100) - 2×1 surfaces. The calculation results show that the sulfur atom establishes a Schottky-like contact when it is used to tethering the surface and the molecule. In contrast to the Si – S linkage, a direct Si – C linkage does not build up a barrier between the molecule and the surface of silicon. This type of contact is a Ohmic-like contact. The origin of the characteristics of the contacts is analyzed. A basic rule for designing the electrical characteristics of the molecule - surface of silicon is presented.