First principles study of magnetism in divalent Eu perovskites


Autoria(s): Ranjan, Rajeev; Nabi, Hasan Sadat; Pentcheva, Rossitza
Data(s)

01/03/2009

Resumo

A comparative first principles study has been carried out for EuLiH3 (ELH) and EuTiO3 (ETO) using the generalized gradient approximation +U approach. While ELH exhibits ferromagnetic ground state for all volumes, the magnetic ground state of ETO has the tendency to switch from G-type antiferromagnetic to a ferromagnetic state with change in volume. The marked difference in magnetic behavior and magnitude of the nearest neighbors exchange interaction of both the compounds are shown to be related to the difference in their respective electronic structure near the Fermi level. The Ti 3d states are shown to play predominant role in weakening the strength of the exchange interaction in ETO.

Formato

application/pdf

Identificador

http://eprints.iisc.ernet.in/19676/1/7.pdf

Ranjan, Rajeev and Nabi, Hasan Sadat and Pentcheva, Rossitza (2009) First principles study of magnetism in divalent Eu perovskites. In: Journal Of Applied Physics, 105 (5). 053905-1-053905-4.

Publicador

American Institute of Physics

Relação

http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JAPIAU000105000005053905000001&idtype=cvips&prog=normal

http://eprints.iisc.ernet.in/19676/

Palavras-Chave #Materials Engineering (formerly Metallurgy)
Tipo

Journal Article

PeerReviewed