Work function of {\alpha}-Fe_{2}O_{3} : a DFT calculation

• Published in: arXiv.org
• Main Author: He, Chunshan
• Format: Paper
• Language: English
• Published: Ithaca Cornell University Library, arXiv.org 14.09.2017
• Subjects: Consultants; Density functional theory; Work functions

The work functions of (001) and (00 -1) surfaces of {\alpha}-Fe_{2}O_{3} are investigated with density functional theory and symmetry slab model. These two surfaces are found to be almost nonpolarized and their work functions are 6.10 eV and 5.49 eV respectively.