Stability of Excess Oxygen Atoms near Oxide Precipitate and Oxygen Solubility in Silicon Crystal

2018 ◽  
Vol 7 (3) ◽  
pp. P102-P108 ◽  
Author(s):  
Eiji Kamiyama ◽  
Koji Sueoka
Keyword(s):  
Silicon Crystal ◽  
Excess Oxygen ◽  
Oxygen Solubility ◽  
Oxide Precipitate ◽  
Oxygen Atoms

Cluster Computations Related to Silicon Thermal Donors

1985 ◽  
Vol 59 ◽  
Author(s):  
Lawrence C. Snyder ◽  
James W. Corbett
Keyword(s):  
Crystalline Silicon ◽  
Silicon Crystal ◽  
Silicon Monoxide ◽  
Interstitial Oxygen ◽  
Hydrogen Atoms ◽  
Oxygen Complex ◽  
Quantum Chemical Computations ◽  
Silicon Oxygen ◽  
Boron Carbon ◽  
Oxygen Atoms

ABSTRACTAb-initio quantum chemical computations have been applied to a set of molecular clusters derived from Si5 H12 to model defects in crystalline silicon involving boron, carbon, nitrogen, oxygen, and hydrogen. In computations of defect structure, hydrogen atoms terminating silicon valencies are fixed at their computed positions in Si5H12, to represent forces from the lattice, while the position of other atoms are varied.We have computed the stable bonding structures of boron, carbon, nitrogen and oxygen atoms to a vacancy, as well as interstitial oxygen, the silicon-oxygen ylid and two oxygen atoms bound to a vacancy. The structures of the dipositive ions of the oxygen bearing clusters have been computed as part of a search for candidates for the core of the 450° C oxygen thermal donor in silicon crystal. The computed cluster energies are employed to give an account of defect thermochemistry; the addition of the free atoms to a vacancy, the addition of interstitial oxygen atoms to a vacancy, the reaction of interstitial oxygen atoms to form a vacancy-oxygen complex with the emission of silicon monoxide, and the reaction of interstitial oxygen with the dipositive ion of substitutional oxygen to form the dipositive ion of two oxygen atoms bound to a vacancy.

Carrier Compensation by Excess Oxygen Atoms in Anatase Ti0.94Nb0.06O2+δEpitaxial Thin Films

2010 ◽  
Vol 49 (4) ◽  
pp. 041102 ◽  
Author(s):  
Hiroyuki Nogawa ◽  
Taro Hitosugi ◽  
Akira Chikamatsu ◽  
Shoichiro Nakao ◽  
Yasushi Hirose ◽  
...  
Keyword(s):  
Thin Films ◽  
Excess Oxygen ◽  
Oxygen Atoms

Location of excess oxygen atoms in HgBa2CaCu2O6+δ

1996 ◽  
Vol 262 (1-2) ◽  
pp. 13-20 ◽  
Author(s):  
X. Zhang ◽  
S.Y. Xu ◽  
C.K. Ong
Keyword(s):  
Excess Oxygen ◽  
Oxygen Atoms

New One-Dimensional Commensurate and Incommensurate Structural Forms of Sr-Co Oxide

1996 ◽  
Vol 453 ◽  
Author(s):  
R. Christoffersen ◽  
A. J. Jacobson ◽  
S. L. Hegwood ◽  
L. Liu
Keyword(s):  
Mixed Layer ◽  
Excess Oxygen ◽  
Slow Cooling ◽  
One Dimensional ◽  
Vacancy Ordering ◽  
Structural Modulation ◽  
Hexagonal Perovskites ◽  
Trigonal Prismatic ◽  
Oxygen Atoms

AbstractNew forms of Sr-Co oxide with one-dimensional structures related to mixed-layer hexagonal perovskites have been synthesized and characterized by TEM. Crystals of Sr5Co2O12 grown from molten KOH flux and oxidized under slow cooling have structures based on a 3/2 ratio of mixed [Sr3CoO6] and [Sr3O9] layers. This is the first known structure with layers of this type stacked in a non-integer ratio, yielding chains of face-sharing octahedral and trigonal prismatic Co-sites with a 3 + 1 sequence along the c-axis. In oxygen-deficient Sr5Co2O12−x, the {110} structural modulation of the stoichiometric 5:4 phase becomes rotated to an irrational orientation, possibly in association with vacancy ordering, forming an incommensurate superstructure. For the compound Sr6Co5O15, previously known to have a 1/1 ratio of [Sr3CoO6] and [Sr3O9] layers with a 4 + 1 octahedral/trigonal prismatic site sequence, introduction of excess oxygen atoms leads to formation of a commensurate rhombohedral superlattice in which c is doubled relative to the stoichiometric 6:5 phase.

A Channeling Study of the Structure of U4O9

1971 ◽  
Vol 49 (17) ◽  
pp. 2215-2226 ◽  
Author(s):  
Hj. Matzke ◽  
J. A. Davies ◽  
N. G. E. Johansson
Keyword(s):  
Critical Angle ◽  
Fluorite Structure ◽  
Recent Model ◽  
The Other ◽  
Excess Oxygen ◽  
Wide Angle ◽  
Oxygen Sublattice ◽  
Other Hand ◽  
Rutherford Scattering ◽  
Oxygen Atoms

The channeling behavior of 1-MeV He+ ions and deuterons in U4O9 has been studied in order to provide information on the location of the excess oxygen in the fluorite structure of UO2. Wide-angle (Rutherford) scattering was used to study the channeling behavior with respect to the uranium sublattice, and the 16O(d, p)17O reaction was used to investigate the oxygen sublattice. A pronounced disorder in the oxygen sublattice was indicated by very poor channeling properties and strong dechanneling with increasing depth. The data are thus in conflict with the model incorporating the excess oxygen in the regular interstitial positions along the [Formula: see text] uranium rows; on the other hand, they are consistent with the more recent model of Willis in which the excess oxygen atoms are displaced ~ 1 Å from the regular interstitial sites and displace, in addition, some normal oxygen atoms. Channeling with respect to the uranium sublattice was found to be substantially the same as in stoichiometric UO2—but with a somewhat smaller critical angle, indicating that the uranium atoms may be displaced slightly (i.e. ~ 0.25 Å) by the presence of the excess oxygen.

Phase diagram and effect of excess oxygen atoms on the spin and charge ordering inLa2NiO4+δcrystals

1999 ◽  
Vol 60 (21) ◽  
pp. 14841-14846 ◽  
Author(s):  
Tôru Kyômen ◽  
Masaharu Oguni ◽  
Mitsuru Itoh ◽  
Kenzô Kitayama
Keyword(s):  
Phase Diagram ◽  
Charge Ordering ◽  
Excess Oxygen ◽  
Spin And Charge Ordering ◽  
Oxygen Atoms
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