Electronic structure of α-Al2O3 in the bulk and on the surface |
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| Authors: | S. E. Kulkova L. Yu. Zagorskaya I. R. Shein |
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| Affiliation: | (1) Institute of Strength Physics and Materials Science of the Siberian Branch of the Russian Academy of Sciences, Russia;(2) Institute of Chemistry of Solids of the Ural Branch of the Russian Academy of Sciences, Russia |
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| Abstract: | Using a full-potential method of attaching plane waves, the electronic structure of Al 2 O 3 is calculated in a corundum structure in the bulk and on the surface (0001). It is shown that the calculations consistently reproduce the properties with respect to the experiment. The effect of surface relaxation on the structure of subsurface states is discussed. __________ Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 20–25, November, 2005. |
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