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(H sup minus Ca sup + ) sup 0 defect in thermochemically reduced CaO: A static and dynamical EPR study

Journal Article · · Physical Review, B: Condensed Matter; (USA)
;  [1];  [2]
  1. Instituto de Ciencia de los Materiales de Aragon, Consejo Superior de Investigaciones Cientificas, Universidad de Zaragoza, Zaragoza (Spain)
  2. Solid State Division, Oak Ridge National Laboratory, Oak Ridge, TN (USA)

The H{sup {minus}}Ca{sup +}{sup 0} defect has been produced in thermochemically reduced CaO crystals and studied by electron paramagnetic resonance (EPR). These defects act as low-temperature traps for electrons released during the photoconversion of F{r arrow} ital F{sup +} centers. The defects are stable up to 80 K. Below 20 K the spectrum corresponds to the static situation, described by tetragonal symmetry with g{sub {parallel}}=2.0003(2) and g{sub {perpendicular}}=1.9996(2), A{sub {parallel}}=41.2{plus minus}0.2 MHz and A{sub {perpendicular}}=21.4{plus minus}0.2 MHz. The nuclear Zeeman term and the hyperfine interaction are of similar strength, and the spectrum shows a strong forbidden'' lines pattern. Above 20 K electron hopping occurs among the six equivalent orientations. Using the line-shape method based on the stochastic Liouville equation, we have studied the evolution of the EPR spectrum with temperature. The motion is thermally activated with a small activation energy {approx}0.007 eV. A polaronlike behavior is proposed for the defect.

DOE Contract Number:
AC05-84OR21400
OSTI ID:
6288261
Journal Information:
Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 42:12; ISSN PRBMD; ISSN 0163-1829
Country of Publication:
United States
Language:
English