Effect of substituted IIIB transition metals on the energy gap of α-Al2O3 by first-principle calculations

Self‐consistent band structure and density of states calculations were performed for the pure alumina (corundum phase) and the aluminates α‐Al2–x Tx O3 where T is a transition metal and stands for Sc, Y, La and Ac with x = 0.5. In this study we have employed the full potential linear augmented plane...

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Veröffentlicht in:	Physica status solidi. A, Applications and materials science Applications and materials science, 2006-07, Vol.203 (9), p.2223-2228
Hauptverfasser:	Benam, M. R., Rahnamaye Aliabad, H. A., Hosseini, S. M.
Format:	Artikel
Sprache:	eng
Schlagworte:	71.15.Mb 71.20.Ps Condensed matter: electronic structure, electrical, magnetic, and optical properties Electron density of states and band structure of crystalline solids Electron states Exact sciences and technology Other inorganic compounds Physics
Online-Zugang:	Volltext
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