BYU

Abstract by John Christensen

Personal Infomation


Presenter's Name

John Christensen

Co-Presenters

None

Degree Level

Undergraduate

Co-Authors

None

Abstract Infomation


Department

Physics and Astronomy

Faculty Advisor

Gus Hart

Title

Keeping Squares Square

Abstract

The ability to take a cell of a crystalline structure and calculate a larger, symmetric cell of the same structure, known as a supercell, is important in materials science. By rotating the matrix that represents the unit cell, the most basic representation of a crystalline structure, we can find certain bases where the supercell can be determined faster than by using other methods. In order to find a supercell that preserves the symmetry of a basis, we first calculate all transformations that do not break the bases symmetry. Then we are able to find a supercell of the size that is of interest to a materials scientist. This method has proven to be more computationally efficient than current methods being used.