Literature DB >> 22243172

Reduced effective spin-orbital degeneracy and spin-orbital ordering in paramagnetic transition-metal oxides: Sr2IrO4 versus Sr2RhO4.

Cyril Martins1, Markus Aichhorn, Loïg Vaugier, Silke Biermann.   

Abstract

We discuss the notions of spin-orbital polarization and ordering in paramagnetic materials, and address their consequences in transition-metal oxides. Extending the combined density functional and dynamical mean field theory scheme to the case of materials with large spin-orbit interactions, we investigate the electronic excitations of the paramagnetic phases of Sr(2)IrO(4) and Sr(2)RhO(4). We show that the interplay of spin-orbit interactions, structural distortions and Coulomb interactions suppresses spin-orbital fluctuations. As a result, the room temperature phase of Sr(2)IrO(4) is a paramagnetic spin-orbitally ordered Mott insulator. In Sr(2)RhO(4), the effective spin-orbital degeneracy is reduced, but the material remains metallic, due to both, smaller spin-orbit and smaller Coulomb interactions. The corresponding spectra are in excellent agreement with photoemission data. Finally, we make predictions for the spectra of paramagnetic Sr(2)IrO(4).

Entities:  

Year:  2011        PMID: 22243172     DOI: 10.1103/PhysRevLett.107.266404

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  4 in total

1.  Hallmarks of the Mott-metal crossover in the hole-doped pseudospin-1/2 Mott insulator Sr2IrO4.

Authors:  Yue Cao; Qiang Wang; Justin A Waugh; Theodore J Reber; Haoxiang Li; Xiaoqing Zhou; Stephen Parham; S-R Park; Nicholas C Plumb; Eli Rotenberg; Aaron Bostwick; Jonathan D Denlinger; Tongfei Qi; Michael A Hermele; Gang Cao; Daniel S Dessau
Journal:  Nat Commun       Date:  2016-04-22       Impact factor: 14.919

2.  Direct theoretical evidence for weaker correlations in electron-doped and Hg-based hole-doped cuprates.

Authors:  Seung Woo Jang; Hirofumi Sakakibara; Hiori Kino; Takao Kotani; Kazuhiko Kuroki; Myung Joon Han
Journal:  Sci Rep       Date:  2016-09-16       Impact factor: 4.379

3.  Atomically resolved spectroscopic study of Sr2IrO4: experiment and theory.

Authors:  Qing Li; Guixin Cao; Satoshi Okamoto; Jieyu Yi; Wenzhi Lin; Brian C Sales; Jiaqiang Yan; Ryotaro Arita; Jan Kuneš; Anton V Kozhevnikov; Adolfo G Eguiluz; Masatoshi Imada; Zheng Gai; Minghu Pan; David G Mandrus
Journal:  Sci Rep       Date:  2013-10-29       Impact factor: 4.379

4.  X-ray Absorption Spectroscopy Study of the Effect of Rh doping in Sr2IrO4.

Authors:  C H Sohn; Deok-Yong Cho; C-T Kuo; L J Sandilands; T F Qi; G Cao; T W Noh
Journal:  Sci Rep       Date:  2016-03-30       Impact factor: 4.379

  4 in total

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