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Electronic energy band calculations in SnO2 |
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| Authors: | J. L. Jacquemin C. Alibert G. Bordure |
| Affiliation: | Centre d'Etudes d'Electronique des Solides, Université des Sciences et Techniques du Languedoc, Montpellier, France |
| Abstract: | The energy band structure of SnO2 is determined semi-empirically by the Kohn-Korringa-Rostoker method. A Hartree-Fock-Slater potential model is used for Sn4+. For O2−, we use a HFS potential model corrected by the introduction of an additional Slater orbital. The band gap value which is obtained directly from this method is 4.5 eV; it is lowered to the value of 3.8 eV by fitting the mean potential value. |
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