MATERIALS MODELLING & SIMULATION LAB

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: