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Title: Half metallic ferromagnetism in tri-layered perovskites Sr{sub 4}T{sub 3}O{sub 10}(T = Co, Rh)

First-principles density functional theory (DFT) is used to investigate the electronic and magnetic properties of Sr{sub 4}Rh{sub 3}O{sub 10}, a member of the Ruddlesden-Popper series. Based on the DFT calculations taking into account the co-operative effect of Coulomb interaction (U) and spin-orbit couplings (SOC), Sr{sub 4}Rh{sub 3}O{sub 10} is found to be a half metallic ferromagnet (HMF) with total magnetic moment μ{sub tot} = 12 μ{sub B} per unit cell. The material has almost 100% spin-polarization at the Fermi level despite of sizable SOC. Replacement of Rh atom by the isovalent Co atom is considered. Upon full-replacement of Co, a low-spin to intermediate spin transition happens resulting in a HMF state with the total magnetic moment three-time larger (i.e., μ{sub tot} = 36 μ{sub B} per unit cell), compared to Sr{sub 4}Rh{sub 3}O{sub 10}. We propose Sr{sub 4}Rh{sub 3}O{sub 10} and Sr{sub 4}Co{sub 3}O{sub 10} as candidates of half metals.
Authors:
 [1] ;  [2] ; ;  [3] ;  [4] ;  [5] ;  [6]
  1. Faculty of Science, Nepal Academy of Science and Technology, P. O. Box 3323, Khumaltar, Lalitpur (Nepal)
  2. (WPI-MANA), National Institute for Materials Science, Tsukuba 305-0044 (Japan)
  3. Department of Physics, Mizoram University, Aizawl 796-004 (India)
  4. Department of Physics, Pachhunga University College, Aizawl 796-001 (India)
  5. Department of Physics, Bose Institute, Kolkata 700-009 (India)
  6. International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science, Tsukuba 305-0044 (Japan)
Publication Date:
OSTI Identifier:
22413086
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 6; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ATOMS; COBALT OXIDES; COMPARATIVE EVALUATIONS; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; FERMI LEVEL; FERROMAGNETIC MATERIALS; FERROMAGNETISM; L-S COUPLING; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; PEROVSKITES; RHODIUM OXIDES; SPIN ORIENTATION