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Title: Ferromagnetic superexchange in insulating Cr2MoO6 by controlling orbital hybridization

We report the magnetic and electronic structures of the newly synthesized inverse-trirutile compound Cr2MoO6. Despite the same crystal symmetry and similar bond-lengths and bond-angles to Cr2TeO6, Cr2MoO6 possesses a magnetic structure of the Cr2MoO6 type, different from that seen in Cr2TeO6. Ab-initio electronic structure calculations show that the sign and strength of the Cr-O-Cr exchange coupling is strongly influenced by the hybridization between Mo 4d and O 2p orbitals. This result further substantiates our recently proposed mechanism for tuning the exchange interaction between two magnetic atoms by modifying the electronic states of the non-magnetic atoms in the exchange path through orbital hybridization. This approach is fundamentally different from the conventional methods of controlling the exchange interaction by either carrier injection or through structural distortions.
Authors:
 [1] ;  [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [5] ;  [1] ;  [3] ;  [1] ;  [1]
  1. Michigan State Univ., East Lansing, MI (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Univ. of Tennessee, Knoxville, TN (United States)
  4. Chinese Academy of Sciences (CAS), Beijing (China); Univ. of Tokyo, Kashiwa (Japan)
  5. Univ. of Tokyo, Kashiwa (Japan)
Publication Date:
OSTI Identifier:
1215577
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 92; Journal Issue: 9; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Research Org:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY