Journal
ACS NANO
Volume 8, Issue 5, Pages 4465-4473Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nn501759g
Keywords
c(2 x 2); c(4 x 4); BaTiO3; surface phase dynamics; surface reconstruction interfaces; TiO clusters
Categories
Funding
- National Science Foundation [DMR0805174, 1206563, CMMI-1334241]
- Nano Bio Interface Center (NBIC), National Science Foundation [NSEC DMR08-32802]
- Air Force Office of Scientific Research [FA9550-10-1-0248]
- Department of Energy Office of Basic Energy Sciences [DE-FG02-07ER15920]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1206563] Funding Source: National Science Foundation
Ask authors/readers for more resources
Coexistence of surface reconstructions is important due to the diversity in kinetic and thermodynamic processes involved. We identify the coexistence of kinetically accessible phases that are chemically Identical and form coherent interfaces. Here, we establish the coexistence of two phases, c(2 x 2) and c(4 x 4), In BaTiO3(001) with atomically resolved Scanning Tunneling Microscopy (STM). First-principles thermodynamic calculations determine that TiO adunits and clusters compose the surfaces. We show that TiO diffusion results in a kinetically accessible c(2 x 2) phase, while TiO clustering results in a kinetically and thermodynamically stable c(4 x 4) phase. We explain the formation of domains based on the diffusion of TiO units. The diffusion direction determines the observed 1D coherent interfaces between c(2 x 2) and c(4 x 4) reconstructions. We propose atomic models for the c(2 x 2), c(4 x 4), and 1D Interfaces.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available