skip to main content

Title: Electronic and magnetic properties of iron doped zirconia: Theory and experiment

We systematically investigated, both theoretically and experimentally, Zr{sub 1−x}Fe{sub x}O{sub 2−y} ranging from diluted (x ≈ 0.05) up to large (x ≈ 0.25) Fe concentration. By atomic layer deposition, we grew thin films of high-κ zirconia in cubic phase with Fe uniformly distributed in the film, as proven by time of flight secondary ion mass spectrometry and transmission electron microscopy measurements. Iron is in Fe{sup 3+} oxidation state suggesting the formation of oxygen vacancies with y concentration close to x/2. By ab-initio simulations, we studied the phase diagram relating the stability of monoclinic vs. tetragonal phase as a function of Fe doping and film thickness: the critical thickness at which the pure zirconia is stabilized in the tetragonal phase is estimated ranging from 2 to 6 nm according to film morphology. Preliminary results by X-ray magnetic circular dichroism and alternating gradient force magnetometry are discussed in comparison to ab initio data enlightening the role of oxygen vacancies in the magnetic properties of the system.
Authors:
; ; ;  [1] ; ; ; ;  [2] ; ;  [3]
  1. Laboratorio MDM, IMM-CNR, 20864 Agrate Brianza (MB) (Italy)
  2. CNR-IMEM, Parco Area delle Scienze 37/A, 43124 Parma (Italy)
  3. Laboratorio TASC, IOM-CNR, S.S. 14 km 163.5, Basovizza, I-34149 Trieste (Italy)
Publication Date:
OSTI Identifier:
22273811
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 17; Conference: 55. annual conference on magnetism and magnetic materials, Atlanta, GA (United States), 14-18 Nov 2010; Other Information: (c) 2014 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; COMPARATIVE EVALUATIONS; CONCENTRATION RATIO; DOPED MATERIALS; IRON COMPOUNDS; IRON IONS; MAGNETIC CIRCULAR DICHROISM; MAGNETIC PROPERTIES; MASS SPECTROSCOPY; MONOCLINIC LATTICES; MORPHOLOGY; OXYGEN; PHASE DIAGRAMS; THIN FILMS; TIME-OF-FLIGHT METHOD; TRANSMISSION ELECTRON MICROSCOPY; VACANCIES; X RADIATION; ZIRCONIUM OXIDES