http://www.cnr.it/ontology/cnr/individuo/prodotto/ID276731

Transverse and longitudinal gradients of the spin magnetization in spin-density-functional theory (Articolo in rivista)

Type

Label

Transverse and longitudinal gradients of the spin magnetization in spin-density-functional theory (Articolo in rivista) (literal)

Anno

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

Alternative label

F. G. Eich, S. Pittalis, G. Vignale (2013)
Transverse and longitudinal gradients of the spin magnetization in spin-density-functional theory
in Physical review. B, Condensed matter and materials physics; AMER CHEMICAL SOC, WASHINGTON (Stati Uniti d'America)
(literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

Rivista

Note

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

[ 1 ] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA [ 2 ] CNR, Ist Nanosci, Ctr S3, Modena, Italy (literal)

Titolo

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

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. (literal)

Editore