Article ID Journal Published Year Pages File Type
5394745 Computational and Theoretical Chemistry 2012 6 Pages PDF
Abstract
► Orthorhombic SrHfO3 (0 0 1) surfaces have been studied by first-principles. ► The weakened covalent surface in the HfO2-terminated slab has been found. ► The weakened ionic surface in the SrO-terminated slab has been found. ► SrO-terminated slab is more stable.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Orthorhombic SrHfO3 (0 0 1) surfaces: Surface structure and electronic properties with first-principles calculations
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