Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 136, Issue 21, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4719212
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Funding
- National Science Foundation [DMR-0906306]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1206320] Funding Source: National Science Foundation
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0906306] Funding Source: National Science Foundation
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Density functional theory is used to simulate high-bias, constant-current scanning tunneling micrographs for direct comparison with experimental images. Coupled to previous spectroscopic data, these simulations are used to determine the atomic structure of Ti-rich nanostructures on strontium titanate (001) surfaces. These nanostructures have three consecutive TiOx surface layers and exploit the distinctive structural motif of the c(4 x 2) reconstruction as their main building block. A structural model of a characteristic triline defect is also proposed. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4719212]
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