Ti-doped ?-Fe2O3 by quantum-chemical modeling

Structure and electronic properties of Ti-doped hematite (?-Fe 2O3) crystal have been studied using a quantum-chemical method based on the Hartree-Fock theory. A supercell model employing a system consisting of 120 atoms has been exploited throughout the investigation. The impurity presence produces...

• Հիմնական հեղինակ: Stashans, A. (author)
• Ձևաչափ: article
• Հրապարակվել է: 2010
• Խորագրեր: ?-Fe O 2 3
• Առցանց հասանելիություն: http://dspace.utpl.edu.ec/handle/123456789/18854