Skip to Main Content (Press Enter)

Logo CNR
  • ×
  • Home
  • Persone
  • Pubblicazioni
  • Strutture
  • Competenze

UNI-FIND
Logo CNR

|

UNI-FIND

cnr.it
  • ×
  • Home
  • Persone
  • Pubblicazioni
  • Strutture
  • Competenze
  1. Pubblicazioni

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

Articolo
Data di Pubblicazione:
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.
Tipologia CRIS:
01.01 Articolo in rivista
Elenco autori:
Pittalis, Stefano
Autori di Ateneo:
PITTALIS STEFANO
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/257585
Pubblicato in:
PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS
Journal
  • Utilizzo dei cookie

Realizzato con VIVO | Designed by Cineca | 26.5.0.0 | Sorgente dati: PREPROD (Ribaltamento disabilitato)