Loction: Weniger 304
Meeting Times: MWF 1500-1550
Spring 2025 Instructor: Matt Graham (web)
Email: graham --AT-- physics.oregonstate.edu
Office Hours: Tu, W 2-3, or by appointment, 375 Weniger
Phone: 510.737.4386

Course TA: Spencer Thorp
Email: thorpsp--AT--onid.oregonstate.edu
Office Hour: F 1-2, 145 Weniger


6/10/25-- Thank you everyone for all your excellent contributions this term. [Course materials removed, available upon request]


Slide(s)/
Notes(n)		 Items Covered Rec Reading Problem sets Optional Supplements & Links

M1:

Introduction: Unit cell concept, review of coupled oscillator model, intro to k-space for phonons

Warren Ch1,   Real lattice vibrations, coupled oscillator PHeT, 5-mass example

W2:

k-space and phonon dispersion relations for N coupled oscillators

 Warren Ch1
  

Worksheet solutions
F3:

Acoustic vs. optical phonons
Homonuclear diatomic molecule. Tight binding/LCAO model, hopping energy, overlap integral.

 S: Ch. 1(skim), n3 old ver.
S: Ch. 2, pp. 25-35		  

Video link-of-the-day: optical vs. acoustic phonons.

Dispersion relations and animations of phonon modes in several different crystals

M4:

 Review homonuclear diatomic molecule. Heteronuclear diatomic molecule. Sigma and pi bonds, energies, molecular orbitals H-wavefunctions , QM Review
S: Ch. 2, pp. 25-35		  

Video link-of-the-day: LCAO: Bonding vs. anti-bounding

W5:

Homonuclear chain, dispersion relation.(PhET: Band Structure Simulation) S: Ch. 2, pp. 36-52   Tetra-lithium ring worksheet
F6:
 Tetralithium, wavefunction ring dancing Alternative Slides
S: Ch. 3, pp. 38-52, (K:Ch2);(A&M:Ch5)		    

M7:

Bonding, 1D Brillioun zones dispersion relations
Bands, effective mass, valence vs conduction bands

 S Ch 3 pp. 30-31   Video link-of-the-day: Quantum well tunneling . (ver 2)
Optional time-dependent bonding note.
Sutton approach to bonding. (Read 2023 works, 1, 2)

W8:

Density of states 1D
Band gaps, Fermi energy

S: Ch 3 pp.47-49; p 55,

 
F9:
 Density of states: 1D system

 Ch.4 pp. 74-80 pp 88-92
  

Video link of the day: Density of states in a box

M10:

Density of states: 2D and 3D systems
2D & 3D cubic lattice dispersion

 


  

 

W11:

2&3D Bloch functions, Fermi surfaces

Total energy, bond energy

      

F12:

Crystal structure, reciprocal lattices

 S: Ch5, pp. 58-72, pp. 88-92  

Periodic Table of Fermi surfaces (ver2)

Crystal packing video (cubic, fcc/bcc, Zn blende, etc.).

M13:

Continuation or Friday's notes
Quantum Espresso Session;

S: pp. 77-80

  

Download and farmiliarize with DFT software BURAI/QEspresso.

W14:

DoS integrated states, total band energy, bond energy.
Multiple bands, velocity, effective mass


S: Ch4, pp. 80-86

   Wigner-Seitz and Brillouin Zone construction
F15:

Fermi-Dirac statistics
Review midterm.

S: Ch5, pp. 101-111;

   

M16:

 mid-term (in class)      

W17:

DFT Project Workshop I

 DFT  

Explaining and predicting the properties of materials using quantum theory (M.L. Cohen)

F18:

DFT Project Workshop II
SCF approach and the Kohn-Sham Equations
DFT Project Workshop II BURAI Manual

 Materials Project Database
[.CIF diamond]
 

[project examples]
1. CompMatPhys Open Course
2. Don't like Burai? Command line tutorial
("NSF Paradim" command line course)

Burai, high symmetry points band of Si

M19:

 Band theory.
Free electron theory: electronic properties.

S: Ch 7 pp. 132-144

  

QE: command line tutorials at the github
Nifty exercise: [calculate graphene DoS]

W20:


Fermi-Dirac statistics in semiconductors.
Doping in Si (Si:P, Si:B), electrons, holes.

 Ch. 5 pg 90-106
S: Ch. 8, pp. 158-162		   Band structures of elements a periodic table that shows band structures of all the elements in their solid forms
F21:

Semiconductors: doping and charge density

Ch. 5 or K: 205-214

  

Introduction to Semiconductors
-the basics (Cambridge University)

M22:

Semiconductors: electrical properties (drift/diffusion current, mobility, scattering time)

Ch. 6
or Jarell Ch 12
or K: Ch.8 pp.187-190

  

drift vs diffusion current basics

W23:


Drift vs. diffusion proterties currents

Semiconductors: optical properties 		Ch. 8  

pn junctions: drift vs. diffusion
How will any of this help me get a job at Intel? from Sand to Silicon. 22 nm transistor

F24:

Spin-orbit interactions.
pn junctions, lattice stretching exercise
DFT Project Workshop III - Bring your calculated E(k) and DoS for peer review

Fair worksheet  

Band animations: pn junction, bipolar transistor , MOSFET
Supplement: Photovoltaics Crash Course

M:

 Memorial Day - No class      
W25:

Electronic Structure Poster Fair (all welcome in Room 304)

 4:00-4:40 PM inclusive  

poster rubric

F26:

Drude model, plasma frequency
Optical propeties, joint density of states(JDoS), Bandgaps Tauc plots

 

  

Tauc plots (arXiv details on finding bandgaps from experiment)

M27:

Optical properties
Graphene band structure

   

Intro to graphene clip 1, clip 2
Graphene properties (Castro Neto), or note 2

W28:

Graphene properties coninued
     More formal solution with pseudospin.
(UC Santa Barbara)
F29:

 Course Review
Nanoscale and beyond; emerging quantum properties		      
FINAL       Tues 6/10, 14h00-16h00 in Weniger 304