Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1595338 | Solid State Communications | 2009 | 4 Pages |
Abstract
We present a real-space pseudopotential method for first principles calculations of noncollinear magnetic phenomena within density functional theory. We demonstrate the validity of the method using the test cases of the Cr3 cluster and the Cr(3×3)R30∘ monolayer. The approach retains all the typical benefits of the real-space approach, notably massive parallelization. It can be employed with arbitrary boundary conditions and can be combined with the computation of pseudopotential-based spin-orbit coupling effects.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Doron Naveh, Leeor Kronik,