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Sub-nanometer Resolution Imaging with Amplitude-modulation Atomic Force Microscopy in Liquid

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Published on: December 20, 2016

Coexisting surface phases and coherent one-dimensional interfaces on BaTiO3(001).

Erie H Morales¹, John Mark P Martirez, Wissam A Saidi

¹Department of Materials Science and Engineering, University of Pennsylvania , Philadelphia, Pennsylvania 19104-6202, United States.

|April 19, 2014

Summary

We discovered two coexisting surface reconstructions, c(2 × 2) and c(4 × 4), on BaTiO3(001). TiO diffusion forms the c(2 × 2) phase, while TiO clustering forms the stable c(4 × 4) phase, creating unique interfaces.

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Area of Science:

Surface Science and Materials Chemistry
Atomic and Nanoscale Surface Characterization
Thin Film Growth and Epitaxy

Background:

Understanding the coexistence of surface reconstructions is crucial for controlling material properties.
Surface reconstructions significantly influence kinetic and thermodynamic processes in materials.
Barium titanate (BaTiO3) is a key material in ferroelectric and dielectric applications.

Purpose of the Study:

To identify and characterize coexisting surface reconstructions on BaTiO3(001) at the atomic level.
To elucidate the formation mechanisms and thermodynamic stability of different surface phases.
To explain the origin of coherent interfaces between coexisting reconstructions.

Main Methods:

Atomically resolved Scanning Tunneling Microscopy (STM) for surface imaging.
First-principles thermodynamic calculations to determine surface composition and stability.
Analysis of diffusion and clustering of TiO units to explain phase formation.

Main Results:

Identified the coexistence of c(2 × 2) and c(4 × 4) surface reconstructions on BaTiO3(001).
Determined that TiO adunits and clusters constitute the observed surface phases.
Showed that TiO diffusion leads to the kinetically accessible c(2 × 2) phase, while TiO clustering yields the stable c(4 × 4) phase.

Conclusions:

The formation of distinct surface reconstructions is governed by TiO diffusion and clustering dynamics.
The direction of TiO diffusion dictates the formation of 1D coherent interfaces between c(2 × 2) and c(4 × 4) domains.
Proposed atomic models for the c(2 × 2), c(4 × 4) reconstructions, and their 1D interfaces.