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Trang S-17
The band structure of a - Al2O3 is shown in Fig . 2 , as obtained from ab initio OLCAO calculations [ 24 ] ; some parameters of the electronic structure are summa- rized in Table 2. As can be seen , the valence band ( VB ) of α - Al2O3 ...
The band structure of a - Al2O3 is shown in Fig . 2 , as obtained from ab initio OLCAO calculations [ 24 ] ; some parameters of the electronic structure are summa- rized in Table 2. As can be seen , the valence band ( VB ) of α - Al2O3 ...
Trang S-22
Figure 6 shows the variation in the band energy spectrum of a - Al2O3 induced by the presence of the Vo vacancy . As can be seen , the Vo vacancy induces the appearance of a occupied vacancy state ( peak S ) in the band gap lying ~ 3.45 ...
Figure 6 shows the variation in the band energy spectrum of a - Al2O3 induced by the presence of the Vo vacancy . As can be seen , the Vo vacancy induces the appearance of a occupied vacancy state ( peak S ) in the band gap lying ~ 3.45 ...
Trang S-28
Polymorph Band gap width Effective charges ** ( type of transition ) 1 3 q ( Si ) q ( 0 ) α - Quartz 5.59 ( KD ) 2.23 3.50 0.947 7.526 B - Quartz 5.46 ( A Г ) 2.52 3.64 0.898 7.543 B - Tridymite 6.50 ( M Г ) 3.00 4.06 0.664 7.649 α ...
Polymorph Band gap width Effective charges ** ( type of transition ) 1 3 q ( Si ) q ( 0 ) α - Quartz 5.59 ( KD ) 2.23 3.50 0.947 7.526 B - Quartz 5.46 ( A Г ) 2.52 3.64 0.898 7.543 B - Tridymite 6.50 ( M Г ) 3.00 4.06 0.664 7.649 α ...
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Suppl | S-1 |
Vol 46 Suppl 1 2001 | S-14 |
HighTemperature Chemistry of Doped Lanthanum Manganites | S-43 |
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active analysis arsenic trichloride atoms band bismuth bonds calculated cation ceramics changes characteristics Chem chemical Chemistry clusters complexes composition compounds concentration Condens considerable containing coordination crystal decrease determined distribution effect electronic elements energy equilibrium et al example existence experimental field formation function growth hexafluorides higher impurities increase Inorganic interactions involved ions Journal Khim layers ligand lower manganites materials mechanism melt metal method molecular molecules nanocrystals orbitals orthorhombic oxide oxygen parameters particles peritectic phase phase diagram Phys Physics polymorphs positions prepared pressure properties reaction relativistic respectively Russian samples Science shift shows similar solid solutions space space group spectra stability structure studied substitution surface symmetry synthesis Table temperature tetragonal thermal tion transition unit cell values various X-ray