Half-metallic Ferrimagnetism Driven by Coulomb Enhanced Spin-Orbit Coupling in PdCrO3

Details Half-metallic Ferrimagnetism Driven by Coulomb Enhanced Spin-Orbit Coupling in PdCrO3 Half-metallic Ferrimagnetism Driven by Coulomb Enhanced Spin-Orbit Coupling in PdCrO3

2011-11-12

arxiv.org/abs/1111.2911v1

Phys. Rev. B 84, 172405 (2011)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages (in press in Phys. Rev. B)

Scientific paper

10.1103/PhysRevB.84.172405

Recently, in the seemingly narrow gap insulating NiCrO$_3$ with the trigonally distorted (R-3c) perovskite-like structure, a compensated half-metal (CHM) is predicted, as applying a modest pressure. Using ab initio calculations including both Coulomb correlations and spin-orbit coupling (SOC), we investigate the as-yet-unsynthesized PdCrO$_3$, isostructural and isovalent to NiCrO$_3$. Upon applying the on-site Coulomb repulsion $U$ to both Pd and Cr ions, the Cr spin moment is precisely compensated with the antialigned spin moments of Pd and oxygens. Coincidentally only one spin channel remains metallic due to the twice larger width of the Pd 4d bands than the Ni 3d bands in NiCrO$_3$, indicating CHM in ambient pressure. Inclusion of SOC as well as correlation effects (LDA+U+SOC) produces a SOC constant enhanced twice over the value of LDA+SOC, leading to unusually large orbital moment of --0.25 $\mu_B$ on Pd. However, the half-metallicity still survives, so that a transition of CHM to a half-metallic ferrimagnet occurs due to Coulomb enhanced SOC. On the other hand, an isovalent, but presumed cubic double perovskite La$_2$PdCrO$_6$ is expected to be a half-metal ferromagnet with tiny orbital moments.

Affiliated with

Also associated with

No associations

Rating

Half-metallic Ferrimagnetism Driven by Coulomb Enhanced Spin-Orbit Coupling in PdCrO3 does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Half-metallic Ferrimagnetism Driven by Coulomb Enhanced Spin-Orbit Coupling in PdCrO3, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Half-metallic Ferrimagnetism Driven by Coulomb Enhanced Spin-Orbit Coupling in PdCrO3 will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-3025