Papers

Peer-reviewed
Mar, 2014

Triplet ground state of the neutral oxygen-vacancy donor in rutile TiO2

PHYSICAL REVIEW B
  • A. T. Brant
  • E. M. Golden
  • N. C. Giles
  • Shan Yang
  • M. A. R. Sarker
  • S. Watauchi
  • M. Nagao
  • I. Tanaka
  • D. A. Tryk
  • A. Manivannan
  • L. E. Halliburton
  • Display all

Volume
89
Number
11
Language
English
Publishing type
Research paper (scientific journal)
DOI
10.1103/PhysRevB.89.115206
Publisher
AMER PHYSICAL SOC

Electron paramagnetic resonance (EPR) is used to investigate the triplet (S = 1) ground state of the neutral oxygen vacancy in bulk rutile TiO2 crystals. This shallow donor consists of an oxygen vacancy with two nearest-neighbor, exchange-coupled Ti3+ ions located along the [001] direction and equidistant from the vacancy. The spins of the two trapped electrons, one at each Ti3+ ion, align parallel to give the S = 1 state. These neutral oxygen vacancies are formed near 25 K in as-grown oxidized TiO2 crystals by illuminating with sub-band-gap 442 nm laser light. The angular dependence of the EPR spectra provides the principal values and axes for the g and D matrices. Observations of the Ti-47 and Ti-49 hyperfine lines when the magnetic field is along high-symmetry directions show that the two Ti3+ ions are equivalent; i.e., they have equal hyperfine A matrices. The A matrix for each Ti3+ ion in the neutral S = 1 oxygen vacancy is approximately half of the A matrix reported earlier for the one Ti3+ ion in the singly ionized S = 1/2 oxygen vacancy [Brant et al., J. Appl. Phys. 114, 113702 (2013)]. The neutral oxygen vacancies are thermally unstable above 25 K. They release an electron to the conduction band with an activation energy near 63 meV and convert to singly ionized S = 1/2 oxygen vacancies. When undoped TiO2 is sufficiently oxygen deficient (i.e., reduced), this combination of conduction band electrons and singly ionized oxygen vacancies may result in carrier-mediated ferromagnetism at room temperature.

Link information
DOI
https://doi.org/10.1103/PhysRevB.89.115206
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000333554600002&DestApp=WOS_CPL
URL
http://www.scopus.com/inward/record.url?eid=2-s2.0-84898722235&partnerID=MN8TOARS
URL
http://orcid.org/0000-0003-4660-9674
ID information
  • DOI : 10.1103/PhysRevB.89.115206
  • ISSN : 1098-0121
  • eISSN : 1550-235X
  • ORCID - Put Code : 15811154
  • SCOPUS ID : 84898722235
  • Web of Science ID : WOS:000333554600002

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