Microstructure and optical properties of ? - Fe2 O3 containing F-centres

Effects produced in the hematite (?-Fe2O3) crystal due to the presence of F-centre are reported in the present work. The results are based on the performed quantum-chemical modelling using the Hartree-Fock methodology. A supercell consisting of 120 atoms has been used throughout the computations. Fi...

• المؤلف الرئيسي: Stashans, A. (author)
• التنسيق: article
• منشور في: 2010
• الموضوعات: ?-Fe O 2 3
• الوصول للمادة أونلاين: http://dspace.utpl.edu.ec/handle/123456789/18853