Jeff=1 /2 Mott-insulating state in Rh and Ir fluorides

Turan Birol, Kristjan Haule

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

Abstract

Discovery of new transition metal compounds with large spin orbit coupling coexisting with strong electron-electron correlation among the d electrons is essential for understanding the physics that emerges from the interplay of these two effects. In this study, we predict a novel class of Jeff=1/2 Mott insulators in a family of fluoride compounds that are previously synthesized, but not characterized extensively. First principles calculations in the level of all electron density functional theory+dynamical mean field theory indicate that these compounds have large Mott gaps and some of them exhibit unprecedented proximity to the ideal, SU(2) symmetric Jeff=1/2 limit.

Original languageEnglish (US)
Article number096403
JournalPhysical review letters
Volume114
Issue number9
DOIs
StatePublished - Mar 5 2015
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2015 American Physical Society.

Fingerprint

Dive into the research topics of 'Jeff=1 /2 Mott-insulating state in Rh and Ir fluorides'. Together they form a unique fingerprint.

Cite this