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@ARTICLE{Feygenson:904366,
      author       = {Feygenson, M. and Novoselov, D. Y. and Mazannikova, M. A.
                      and Korotin, D. M. and Bushinsky, M. and Karpinsky, D. and
                      Hanfland, M. and Sazonov, A. and Savvin, S. and Porcher, F.
                      and Svetogorov, R. and Veligzhanin, A. and Tiutiunnikov, S.
                      and Arumugam, S. and Sikolenko, V.},
      title        = {{P}ressure-induced structural and magnetic phase
                      transitions in {L}a 0.75 {B}a 0.25 {C}o{O} 2.9 studied with
                      scattering methods and first-principle calculations},
      journal      = {Physical review / B},
      volume       = {104},
      number       = {14},
      issn         = {1098-0121},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2021-05936},
      pages        = {144107},
      year         = {2021},
      abstract     = {We studied structural and magnetic phase transitions under
                      applied pressure for the doped cobaltite La0.75Ba0.25CoO2.9.
                      Neutron and x-ray diffraction experiments established the
                      coexistence of rhombohedral and cubic phases in the sample.
                      The magnetic state at 2 K is best described as a long-range
                      ordered antiferromagnet (AFM) with small ferromagnetic (FM)
                      clusters. With application of pressure, the rhombohedral
                      phase gradually transforms into a cubic one. At room
                      temperature and the highest applied pressure of 16 GPa, the
                      cubic phase accounts for $70\%$ of the sample volume.
                      Quantum mechanical modeling confirmed the experimental
                      findings and provided more insights into the structural and
                      magnetic phase transitions at pressures exceeding 16 GPa.
                      While the cubic crystal structure was preserved above 10
                      GPa, the AFM to FM phase transition was found at around 16
                      GPa. Further increase of the pressure resulted in
                      suppression of magnetic order above 45 GPa. Using density
                      functional theory (DFT)+U calculations, we were able to
                      relate macroscopic magnetic properties induced by pressure
                      with corresponding spin-state transitions in Co ions.},
      cin          = {IBI-8 / JCNS-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IBI-8-20200312 / I:(DE-Juel1)JCNS-1-20110106},
      pnm          = {633 - Life Sciences – Building Blocks of Life: Structure
                      and Function (POF4-633) / 5251 - Multilevel Brain
                      Organization and Variability (POF4-525) / 5241 - Molecular
                      Information Processing in Cellular Systems (POF4-524) / 6G4
                      - Jülich Centre for Neutron Research (JCNS) (FZJ)
                      (POF4-6G4)},
      pid          = {G:(DE-HGF)POF4-633 / G:(DE-HGF)POF4-5251 /
                      G:(DE-HGF)POF4-5241 / G:(DE-HGF)POF4-6G4},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000707470400001},
      doi          = {10.1103/PhysRevB.104.144107},
      url          = {https://juser.fz-juelich.de/record/904366},
}