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Trang S-10
One of them is bation of the electronic states of the crystal , which filled and localized near the upper edge of the valence extends , at least , over the second coordination sphere . band . The states constituting this band have a ...
One of them is bation of the electronic states of the crystal , which filled and localized near the upper edge of the valence extends , at least , over the second coordination sphere . band . The states constituting this band have a ...
Trang S-91
Possi( 4 ) with an anneal at 850 K for 48 h ( 107 ) . bly , the observed discrepancy is due to the fact that the lower lying indirect extremum of the conduction band is filled upon the excitement of nonequilibrium charge axis kų .
Possi( 4 ) with an anneal at 850 K for 48 h ( 107 ) . bly , the observed discrepancy is due to the fact that the lower lying indirect extremum of the conduction band is filled upon the excitement of nonequilibrium charge axis kų .
Trang S-99
( E || c ) = 0.939 and 1.022 eV for 300 and Ege = Calculations of the band structure for ZnAsa are dif80 K and B4 ( E || c ) = -3.8 x 104 eV / K for 80–300 K. ficult because of the low - symmetry lattice , large numGiven G = 17 meV ...
( E || c ) = 0.939 and 1.022 eV for 300 and Ege = Calculations of the band structure for ZnAsa are dif80 K and B4 ( E || c ) = -3.8 x 104 eV / K for 80–300 K. ficult because of the low - symmetry lattice , large numGiven G = 17 meV ...
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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