Journal Article

FZJ-2017-05078

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Mott transition, spin-orbit effects, and magnetism in Ca$_{2}$ RuO$_{4}$

Zhang, G.FZJ* ; Pavarini, E. (Corresponding author)FZJ*

2017
Inst. Woodbury, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/14944  doi:10.1103/PhysRevB.95.075145

Abstract: In this work, we study the effects of spin-orbit and Coulomb anisotropy on the electronic and magnetic properties of the Mott insulator Ca$_{2}$ RuO$_{4}$. We use the local-density approximation + dynamical mean-field approach and spin-wave theory. We show that, contrary to a recent proposal, the Mott metal-insulator transition is not induced by the spin-orbit interaction. We confirm that, instead, it is mainly driven by the change in structure from long to short c-axis layered perovskite. We show that the magnetic ordering and the anisotropic Coulomb interactions play a small role in determining the the size of the gap. The spin-orbit interaction turns out to be essential for describing the magnetic properties. It not only results in a spin-wave gap, but it also enlarges significantly the magnon bandwidth.

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Contributing Institute(s):

1. Theoretische Nanoelektronik (IAS-3)
2. JARA - HPC (JARA-HPC)

Research Program(s):

1. 144 - Controlling Collective States (POF3-144) (POF3-144)
2. Spin-orbital order-disorder transitions in strongly correlated systems (jiff46_20161101) (jiff46_20161101)
3. Multiplet effects in strongly correlated materials (jiff41_20091101) (jiff41_20091101)
4. Multiplet effects in strongly correlated materials (jara0050_20130501) (jara0050_20130501)

Appears in the scientific report 2017

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Database coverage:
; ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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