Research Article
Simulation Calculation and Analysis of Electronic Structure and Electrical Properties of Metal-Doped SnO2
Table 1
Optimized unit cell parameters.
| | SnO2 model | Undoped | Sb doped | Sr doped | Ga doped | Ti doped | Ge doped |
| | a (Å) | 4.7373 | 4.9305 | 4.9733 | 4.9124 | 4.9082 | 4.8995 | | Growth ratio (%) | — | 4.0783 | 4.9817 | 3.5644 | 3.6075 | 3.4239 | | c (Å) | 3.1864 | 3.3053 | 3.3276 | 3.2844 | 3.2807 | 3.2780 | | Growth ratio (%) | — | 3.7315 | 4.4313 | 3.0756 | 2.9595 | 2.8747 | | Volume (Å3) | 572.07 | 642.82 | 658.42 | 634.05 | 632.26 | 629.52 | | Growth ratio (%) | — | 12.367 | 15.094 | 10.834 | 10.521 | 10.042 | | Energy (eV) | −1937.9 | −15562 | −16245 | −17463 | −17019 | −15519 |
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