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Ab initio simulation of the BaZrO3 (0 0 1) surface structure

✍ Scribed by Justin Ho; Eugene Heifets; Boris Merinov


Book ID
108279433
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
327 KB
Volume
601
Category
Article
ISSN
0039-6028

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πŸ“œ SIMILAR VOLUMES


Surface structure of SrTiO3(1 0&#xa
✍ T Kubo; H Nozoye πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 987 KB

Atomic and electronic structures of the SrTiO 3 (1 0 0) surface have been studied by using scanning tunneling microscopy (STM). We observed the c(4 β€’ 2) (h ΒΌ 0:25) phase and the series of the structural phase transitions, e.g., c(2 For the SrTiO 3 (1 0 0) surface reconstructions, Sr adatom model, c

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✍ D.A. Kilimis; Ch.E. Lekka πŸ“‚ Article πŸ“… 2007 πŸ› Elsevier Science 🌐 English βš– 718 KB

We report ab initio (FPLAPW) results referring to the early stages of oxygen deposition on the Nb(1 1 0) surface. We considered the cases of half and full monolayer depostion and we evaluated the structural and electronic properties of the resulting overlayers. From the calculated electronic strctur