ECE482 Computational Modeling of Materials for Microelectronic Applications

The course reviews the principles of computational modelling of materials for microelectronic applications. Τhe course includes the basic understanding of quantum mechanics as it is employed (Density functional theory) in the computational modelling of materials for devices. Classical methods such as molecular dynamics will also be discussed.

Course details:

• Atomic and molecular bonds, bonding between atoms in a solid.
• Thermally activated processes, Arrhenius equation, atomic diffusion and diffusion coefficient.
• Microelectronic materials: Silicon, germanium, III-V alloys. Defects in crystals and their impact on the mechanical and electric properties of solids, single crystal growth for integrated circuits (IC) via the Czochralski method.
• Semiconductors: Intrinsic and extrinsic, band structure diagram, electrons and holes, n-type and p-type doping.
• Introduction in Quantum Mechanics.
• Computational modelling techniques: Potentials for simulations at the atomistic scale, molecular dynamics, density functional theory. Limitations of the different methodologies.
• Example calculations with emphasis in microelectronics.

With the completion of the course the students will be able to understand:

• Atomic and molecular bonds, bonding between atoms in a solid.
• Thermally activated processes.
• Basic materials for microelectronics.
• Basic principles of quantum mechanics.
• Computational modelling techniques: Potentials for simulations at the atomistic scale, molecular dynamics, density functional theory. Limitations of the different methodologies.