Interstitial-oxygen-atom diffusion in MgO

1996 ◽  
Vol 53 (12) ◽  
pp. 7731-7735 ◽  
Author(s):  
T. Brudevoll ◽  
E. A. Kotomin ◽  
N. E. Christensen
2015 ◽  
Vol 579 ◽  
pp. 123-126 ◽  
Author(s):  
Shao-Long Jiang ◽  
Xi Chen ◽  
Jing-Yan Zhang ◽  
Guang Yang ◽  
Jiao Teng ◽  
...  
Keyword(s):  

1987 ◽  
Vol 104 ◽  
Author(s):  
J. M. Trombetta ◽  
G. D. Watkins

ABSTRACTThe Si-G15 EPR spectrum and the 0.79eV “C-line” luminescence spectra in silicon are shown to arise from an interstitial carbon - interstitial oxygen complex. The g-tensor and 13C hyperfine interaction tensor indicate the structure in the vicinity of the carbon atom while stress alignment studies reveal the configuration near the oxygen atom. The pairing of the two impurities leads to a lattice relaxation which serves to stabilize the complex against dissociation.


2003 ◽  
Vol 786 ◽  
Author(s):  
Minoru Ikeda ◽  
Georg Kresse ◽  
Toshihide Nabatame ◽  
Akira Toriumi

ABSTRACTIn this report, we present the detailed analysis of the interstitial oxygen (O2+, O0, O2-) diffusion in monoclinic HfO2 (hafnia) using the first principles calculations. The interstitial oxygen atom kicks out the oxygen atom at the 3-fold-site and occupies the 3-fold-site. And then the newly kicked-out interstitial oxygen atom jumps to the nearest neighbor site and couples again with the atoms at the crystal sites. This kick-out- mechanism is valid for all charge states of the interstitial oxygen in monoclinic HfO2. In hafnia, the interstitial oxygen atom can take 3 charge states (+2, 0, -2) depending on the chemical potential (Ef), whereas the oxygen-vacancy in hafnia can get +2 or 0 charge state being dependent on Ef. In the lower range of Ef, O2+ and O0 might contribute. In the middle range of Ef, the O2- does not contribute to the diffusion process in hafnia because of the pair annihilation process between O2- and oxygen vacancy (V2+) defect pair. We can simulate such a pair annihilation process in hafnia. In the higher range, O2- might contribute the diffusion process.


1985 ◽  
Vol 59 ◽  
Author(s):  
J. Lennart Lindström ◽  
Bengt G. Svensson

ABSTRACTIn this review we focus on oxygen-related defects created by electron irradiation (vacancy-oxygen defects) and subsequent thermal treatments. The annealing of the vacancy-oxygen pair (VO-center) at 300–350 °C is discussed as well as results from the formation and annealing of the successors to VO, the VO2 and VO3-centers. It -s found that VO2 is formed by diffusion of a vacancy-oxygen pair to an interstitial oxygen atom. It is suggested that VO3 is formed by the diffusion of interstitial oxygen to a VO2-center (in the temperature range 450–485 °C). At continued annealing at these temperatures VO3 is transferred to a new defect VO4 by attaching one more oxygen. Simultaneously thermal donors are developing in a normal way i.e. as in an unirradiated sample. It is therefore concluded that VO2 is not an important core for thermal donors but a possible nucleus for oxygen precipitation.


2015 ◽  
Vol 242 ◽  
pp. 290-295 ◽  
Author(s):  
Vladimir P. Markevich ◽  
Anthony R. Peaker ◽  
Bruce Hamilton ◽  
Vasilii E. Gusakov ◽  
Stanislav B. Lastovskii ◽  
...  

It is argued in this work that a DLTS signal associated with hole emission from a radiation-induced defect with an energy level at Ev + 0.09 eV is related to a complex of silicon di-interstitial with an oxygen atom (I2O). This signal has been observed in the DLTS spectra of p-type Si:O samples irradiated with either 4-6 MeV electrons or alpha particles. Isochronal and isothermal annealing studies of the samples have shown that the defect responsible for the DLTS signal from the Ev + 0.09 eV level disappears upon heat-treatments in the temperature range 75-100 °C and its formation and annealing behavior is similar to that of a center giving rise to the infrared absorption band at 936 cm-1 previously assigned to a local vibrational mode (LVM) due to the I2O complex. Possible configurations of the I2O complex have been found by ab-initio modeling and analyzed. Formation and binding energies, energy levels and LVMs for different configurations have been determined. It has been found that the minimum energy configuration of the I2O complex consists of the compact I2 to which a divalent interstitial oxygen atom is attached. Calculated values of the strongest LVM (ν = 971 см-1 ) and position of the donor level {Ev + (0.11-0.13) eV} for the minimum energy configuration are very close to those assigned to the I2O defect in the infrared absorption and DLTS experiments.


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