EXACT AND APPROXIMATE RELATIONS FOR THE SPIN-DEPENDENCE OF THE EXCHANGE ENERGY IN HIGH MAGNETIC FIELDS


Autoria(s): MORBEC, J. M.; CAPELLE, Klaus
Contribuinte(s)

UNIVERSIDADE DE SÃO PAULO

Data(s)

20/10/2012

20/10/2012

2009

Resumo

The exchange energy of an arbitrary collinear-spin many-body system in an external magnetic field is a functional of the spin-resolved charge and current densities, E(x)[n(up arrow), n(down arrow), j(up arrow), j(down arrow)]. Within the framework of density-functional theory (DFT), we show that the dependence of this functional on the four densities can be fully reconstructed from either of two extreme limits: a fully polarized system or a completely unpolarized system. Reconstruction from the limit of an unpolarized system yields a generalization of the Oliver-Perdew spin scaling relations from spin-DFT to current-DFT. Reconstruction from the limit of a fully polarized system is used to derive the high-field form of the local-spin-density approximation to current-DFT and to magnetic-field DFT.

Identificador

INTERNATIONAL JOURNAL OF MODERN PHYSICS B, v.23, n.Dez/13, p.3004-3008, 2009

0217-9792

http://producao.usp.br/handle/BDPI/29949

http://apps.isiknowledge.com/InboundService.do?Func=Frame&product=WOS&action=retrieve&SrcApp=EndNote&UT=000266913000077&Init=Yes&SrcAuth=ResearchSoft&mode=FullRecord

Idioma(s)

eng

Publicador

WORLD SCIENTIFIC PUBL CO PTE LTD

Relação

International Journal of Modern Physics B

Direitos

restrictedAccess

Copyright WORLD SCIENTIFIC PUBL CO PTE LTD

Palavras-Chave #Density-functional theory #exchange energy #orbital magnetism #DENSITY-FUNCTIONAL THEORY #ELECTRON-GAS #SYSTEMS #ATOMS #Physics, Applied #Physics, Condensed Matter #Physics, Mathematical
Tipo

article

proceedings paper

publishedVersion