First-principle study on effects of electric field on perpendicular magnetocrystalline anisotropy

The physical properties of materials not only depend on the chemical composition but also their microstructure. The properties and their relationship with the composition and microstructure were mainly studied by experiments and try-and-error method before. With the combination of physical principles and computers, now people may study the properties of materials through computer simulation. First-principle method, based on density functional theory, and molecular dynamics method are two often used methods for electron state level and atomic level calculations respectively. In this program, students will study how to use VASP and LAMMPS, a first-principle software and a molecular dynamics software respectively, and related concepts. They will perform a case study on some physical properties of a material, such as electron states or defects development.

Faculty Supervisor:

Shantanu Basu


Chang Yu Sung



Physics / Astronomy



Western University



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