Atomic Structure Optical Properties and Electron Transport in Self-assembled Monolayers on Surfaces

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Title: Atomic Structure Optical Properties and Electron Transport in Self-assembled Monolayers on Surfaces
Author: Wang, Shuchun
Advisors: Marco Buongiorno Nardelli, Committee Member
Wenchang Lu, Committee Member
Jerry Bernholc, Committee Chair
Chris Roland, Committee Member
Zhilin Li, Committee Member
Abstract: Adsorbate-induced modification of semiconductor or metal surfaces creates a nano-scale quantum structure which offers a rich vein of exotic physical phenomena for investigation. Human desire to harness these properties for technological or scientific purposes has led to extensive experimental and theoretical investigations. This dissertation focuses on the ab initio simulations of atomic, electronic, optical, and transport properties of nano-scale systems. The calculated results for indium nanowires on the Si(111) surface identify their atomic structure and reveal a phase transition at low temperature. Transport simulations on the self-assembled monolayer of ferrocenyl-alkanethiolate on Au(111) surface show negative difference resistance, which is in very good agreement with experimental observations. This opens a new opportunity for applications in nanoscale molecular devices.
Date: 2007-07-18
Degree: PhD
Discipline: Physics
URI: http://www.lib.ncsu.edu/resolver/1840.16/5966


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