Band Structure Lab Learning Materials

by Saumitra Raj Mehrotra, Dragica Vasileska, Gerhard Klimeck, Alejandra J. Magana


By completing the BSC Lab in ABACUS - Assembly of Basic Applications for Coordinated Understanding of Semiconductors, you will be able to:

a) understand the concept of carriers dispersion in a solid,

b) understand the concept of effective masses and energy gaps, and

c) understand the bandstructure in low-dimensional systems.

The specific objectives of the BSC Lab are:


Recommended Reading

If you have not had experience with the concept of bandstructure and ways of calculating the bandstructure, here is a list of resources that will help you have the required knowledge to get the most of these issues resolved:

1. Walter Harrison, Elementary Electronic Structure, World Scientific.

2. Peter Y. Yu and Manuel Cardona, Fundamentals of Semiconductors: Physics and Material Properties, Springer.

3. Dragica Vasileska, Stephen M. Goodnick and G. Klimeck: Computational Electronics: Semiclassical and Quantum Device Modeling and Simulation, Appendix A (CRC Press, 2010).


Band Structure Lab: First-Time User Guide Band Structure Lab Demonstration: Bulk Strain

Theoretical descriptions

* Band Structure Calculation: General Considerations

* Empirical Pseudopotential Method Description

* Tutorial on Semi-empirical Band Structure Methods

* Description of the K.P Method for Band Structure Calculation

* Tight-Binding Band Structure Calculation Method

* Empirical Pseudopotential Method: Theory and Implementation

Tool Verification

Verification of the Validity of Bulk Bandstructure Lab

Worked Examples

Verification of the Validity of Bulk Bandstructure Lab

Exercises and Homework Assignments

1. Bulk Band Structure: a Simulation Exercise

2. Computational Electronics HW - Bandstructure Calculation

3. Energy Bands as a Function of the Geometry of the n-Well Potential: an Exercise

4. Band Structure Lab Exercise

5. ABACUS Exercise: Bandstructure – Kronig-Penney Model and Tight-Binding Exercise

Solutions to Exercises

Solutions to exercises will be provided to Instructors ONLY!

Take a Test

This test will assess your conceptual understanding of the physical, mathematical and computational knowledge related to formation of bandstructure in crystals, the concept of energy bands and the energy gaps.

ABACUS: Test for Bandstructure Lab

Solve the Challenge

In this final challenge you will integrate all what you have learned about bandstructure calculation in bulk and in low-dimensional systems such as nanowires.

Can we define unique effective masses in Si nanowires?

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