Skip to Main Content (Press Enter)

Logo CNR
  • ×
  • Home
  • People
  • Outputs
  • Organizations
  • Expertise & Skills

UNI-FIND
Logo CNR

|

UNI-FIND

cnr.it
  • ×
  • Home
  • People
  • Outputs
  • Organizations
  • Expertise & Skills
  1. Outputs

Transverse and longitudinal gradients of the spin magnetization in spin-density-functional theory

Academic Article
Publication Date:
2013
abstract:
We derive the gradient expansion for the exchange energy of a spin-polarized electron gas by perturbing the uniformly spin-polarized state and thus inducing a small noncollinearity that is slowly varying in space. We show that the contribution due to the induced longitudinal gradient of the spin polarization to the exchange energy differs from the contribution due to the transverse gradient. The difference is present at any nonvanishing spin polarization and becomes larger with increasing spin polarization. We argue that improved generalized gradient approximations of spin-density-functional theory must account for the difference between the longitudinal-and transverse-spin stiffness.
Iris type:
01.01 Articolo in rivista
List of contributors:
Pittalis, Stefano
Authors of the University:
PITTALIS STEFANO
Handle:
https://iris.cnr.it/handle/20.500.14243/257585
Published in:
PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS
Journal
  • Use of cookies

Powered by VIVO | Designed by Cineca | 26.5.1.0 | Sorgente dati: PREPROD (Ribaltamento disabilitato)