The atomic configurations, bonding characteristics, and electronic structures of the N-adsorbed (directly and substitutionally) SrTiO 3 (0 0 1) surface are studied by using first-principles method based on the density functional theory. From the analysis of the energetics and density of states, it i
โฆ LIBER โฆ
The electronic and atomic structure of SrTiO3, BaTiO3, and PbTiO3(0 0 1) surfaces: Ab initio DFT/HF hybrid calculations
โ Scribed by S. Piskunov; E.A. Kotomin; E. Heifets
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 273 KB
- Volume
- 81
- Category
- Article
- ISSN
- 0167-9317
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