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. First-principles investigation of symmetric and antisymmetric exchange interactions of SrCu2(BO3)(2)
 
research article

First-principles investigation of symmetric and antisymmetric exchange interactions of SrCu2(BO3)(2)

Mazurenko, V. V.
•
Skornyakov, S. L.
•
Anisimov, V. I.
Show more
2008
Physical Review B

We report on a first-principles investigation of the electronic structure and of the magnetic properties of the quasi-two-dimensional Mott insulator SrCu2(BO3)(2). Based on the hopping integrals and Coulomb interactions calculated with local-density approximation and local spin density approximation taking into account the on-site Coulomb correlations (LSDA+U), we provide a microscopic explanation of the symmetric Heisenberg and antisymmetric Dzyaloshinskii-Moriya exchange integrals of SrCu2(BO3)(2). The intra-atomic exchange interaction of oxygen is shown to strongly contribute to the intradimer isotropic exchange. The results are in good agreement with those derived from experimental data, both regarding the orientation of the Dzyaloshinskii-Moriya vectors and the magnitude of all exchange integrals. The microscopic analysis is confirmed by the results of Green's function and total energies difference methods.

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

PhysRevB.78.195110.pdf

Access type

openaccess

Size

346.03 KB

Format

Adobe PDF

Checksum (MD5)

a292a92be9ebfbd9498aa635e3aea8da

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