Real-space pseudopotential method for noncollinear magnetism within density functional theory

Doron Naveh, Leeor Kronik

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

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 (sqrt(3) × sqrt(3)) R 3 0{ring operator} 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.

Original languageEnglish
Pages (from-to)177-180
Number of pages4
JournalSolid State Communications
Volume149
Issue number3-4
DOIs
StatePublished - Jan 2009
Externally publishedYes

Keywords

  • D. Noncollinear magnetism
  • E. Pseudopotentials
  • E. Real space methods

Fingerprint

Dive into the research topics of 'Real-space pseudopotential method for noncollinear magnetism within density functional theory'. Together they form a unique fingerprint.

Cite this