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arxiv: 1709.04672 · v1 · pith:XKUSPTRGnew · submitted 2017-09-14 · ❄️ cond-mat.mtrl-sci

Work function of {α}-Fe₂O₃ : a DFT calculation

classification ❄️ cond-mat.mtrl-sci
keywords workalphafunctionssurfacesalmostcalculationdensityfound
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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.

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