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a 14 - X tions ( COOP ) of the parent 2H AIN phase , obtained by layer enriched in oxygen , and the other layers are the tight - binding calculations of a 32 - atom supercell ( 266 ) . basal ( 0001 ) layers of 2H - AIN .
a 14 - X tions ( COOP ) of the parent 2H AIN phase , obtained by layer enriched in oxygen , and the other layers are the tight - binding calculations of a 32 - atom supercell ( 266 ) . basal ( 0001 ) layers of 2H - AIN .
Trang S-147
24b shows Fvpp ( s ) for oxygen sublattices in the structures of 323 oxygen - containing uranium 0 compounds , for which the mean value ( Z ) = 10.7 . The latter histogram has a pattern typical of the distributions Fig . 24.
24b shows Fvpp ( s ) for oxygen sublattices in the structures of 323 oxygen - containing uranium 0 compounds , for which the mean value ( Z ) = 10.7 . The latter histogram has a pattern typical of the distributions Fig . 24.
Trang S-153
In these sublattices , the oxygen atoms can be treated as the master atoms in terms of the p - criterion . It seems likely that one of the major reasons behind the difference in the role of oxygen atoms is a different density ( d ) of ...
In these sublattices , the oxygen atoms can be treated as the master atoms in terms of the p - criterion . It seems likely that one of the major reasons behind the difference in the role of oxygen atoms is a different density ( d ) of ...
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Effect of Defects on Electronic Structure Chemical Bonding | S-3 |
Contents | S-16 |
Conclusions | S-30 |
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addition analysis angle anions atoms average band bond calculated cations characteristics characterized Chem chemical Chemistry close complexes composition compounds concentration conductivity considerable considered containing coordination corresponding crystal curves decrease defects density dependence described determined diffusion direct distance distribution domain effect electron elements energy example existence faces fluorides formation given groups impurity increase influence Inorganic interactions interatomic involved ionic Journal lattice layer ligand magnetic materials melting metal method molecules nature nitride Note observed occur overlap oxide oxygen packing parameters phase Phys Physics polyhedron positions possible processes properties radii range reaction region respectively rule Russian shift shows similar single solid solutions space space group spectra sphere stability structure studied surface Table temperature tion topological trans transition unit vacancies values VD polyhedra