Title: Magnetically active transition metal cation-substituted alumina

Journal Article · · Nanotechnology
ORCiD logo [1];  [2]; ORCiD logo [3];  [4];  [1];  [1];  [2];  [4];  [2]; ORCiD logo [1]
  1. State Univ. of New York (SUNY), Buffalo, NY (United States). Research and Education in Energy, Environment, and Water (RENEW) Inst.
  2. US Army Research Lab., Aberdeen Proving Ground, MD (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Temple Univ., Philadelphia, PA (United States)
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Alumina (Al2O3) is one of the most widely used ceramic materials for innumerable applications, due to its unique combination of attractive physical and mechanical properties. These intrinsic properties are dictated by the numerous phases that Al2O3 forms and its related phase transformations. Transition metal (TM) cation dopants (iron (Fe), cobalt (Co), nickel (Ni) and manganese (Mn)), even in sparse amounts, have been shown to significantly affect the phase transformation and microstructural evolution of Al2O3. Small concentrations of TM cation dopants have successfully been incorporated to synthesize magnetically active Al2O3, while reducing the θ to α phase transformation temperature by 150 °C, and maintaining the outstanding mechanical properties. In addition, first-principle calculations based on density-functional theory with hybrid functional (HSE06) and the PBE+U methods have provided a mechanistic understanding of the formation energy and magnetism of the TM-doped α and θ phases of Al2O3. Overall, the results reveal a potential route for phase transition regulation and external magnetic field-induced texturing of Al2O3 ceramics.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
US Army Research Office (ARO); USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC02-06CH11357; AC05-00OR22725
OSTI ID:
1761703
Journal Information:
Nanotechnology, Journal Name: Nanotechnology Journal Issue: 10 Vol. 31; ISSN 0957-4484
Publisher:
IOP PublishingCopyright Statement
Country of Publication:
United States
Language:
English

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36 MATERIALS SCIENCE
Alumina
magnetically active
phase transition
transition metal doping