MATERIALS MODELLING & SIMULATION LAB
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Dr. Abdul Jalil
Course Outline
Chapter 1: Introduction
Chapter 2: Crystal Lattice, basis, miller index et.al.
Chapter 3: Symmetry of Crystals
Chapter 4: Real Crystals
Chapter 5: Reciprocal space
Chapter 6: Crystal structure determination
Chapter 7: Crystal binding - ionic and covalent bond
Chapter 8: Metallic bond, H bond, VdW interaction
Chapter 9: Classical Theory of the Harmonic Crystal
Chapter 10: Quantum Theory of the Harmonic Crystal
Chapter 11: Models of Einstein and Debye
Chapter 12: Optical Properties in Ionic Crystal
Chapter 13: Anharmonic Effects in Crystals
Chapter 14: Measuring Phonon Dispersion Relations
Chapter 15: The Drude & Sommerfeld Theory of Metals
Chapter 16: Thermal Properties, Paramagnetism, Conduction
Chapter 17: Band theory (Weak Periodic Potential)
Chapter 18: Band theory (Tight-Binding Model)
Chapter 19: Other Band Structure Methods
Chapter 20: Symmetry of Energy Bands
Chapter 21: Density of States & Fermi Surface
Chapter 22: Electrons in Electric Field
Chapter 23: Electrons in Magnetic Field
Chapter 24: Measuring Band Structure
Chapter 25: Electron Transport in Metals
Summary
References (Kittel, Thesis)
Learning Outcomes
Understand crystal structures and their properties.
Explain electron and phonon behavior in solids.
Analyze band theory and its applications.
Apply computational tools for material modeling.
Assessment Methods
Assignments & Quizzes – 20%
Midterm Exam – 30%
Final Exam – 40%
Class Participation & Presentations – 10%
Recommended Books
Charles Kittel,
Introduction to Solid State Physics
Ashcroft & Mermin,
Solid State Physics
Stephen Elliott,
The Physics and Chemistry of Solids
Lecture Notes & Resources
You can download lecture slides and assignments here:
Lecture 1 – Introduction (PDF)
Lecture 2 – Crystal Symmetry (PDF)
Assignment 1 (PDF)