Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. Fully unconstrained approach to noncollinear magnetism: Application to small Fe clusters
 
research article

Fully unconstrained approach to noncollinear magnetism: Application to small Fe clusters

Oda, T.
•
Pasquarello, Alfredo  orcid-logo
•
Car, R.
1998
Physical Review Letters

We develop a plane-wave pseudopotential scheme for noncollinear magnetic structures, based on a generalized local spin-density theory in which the direction of the magnetization is a continuous variable of position. We allow the atomic and magnetic structures to relax simultaneously and self-consistently. Application to small Fe clusters yields noncollinear magnetic structures for Fe-3 and Fe-5. The components of the magnetization density vary smoothly with position. The spin direction undergoes sizable changes only in the regions of small charge and spin density between the atoms and is generally uniform in the magnetic regions of the atoms.

  • Files
  • Details
  • Metrics
Loading...
Thumbnail Image
Name

PhysRevLett.80.3622.pdf

Type

Main Document

Version

Published version

Access type

openaccess

License Condition

N/A

Size

132.14 KB

Format

Adobe PDF

Checksum (MD5)

a449e2eddfad6fc54846e6c4ab432ab3

Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés