The atomistic structures of MgO/SrTiO3(001) and BaO/SrTiO3(001) using simulated amorphization and recrystallization

Article Abstract:

Large-scale atomistic simulations of oxide interfaces are performed where the thin film is forced to undergo a controlled amorphous transition prior to recrystallizing. The MO/SrTiO3(001) systems are explored using this simulation technique, which demonstrates markedly different structural characteristics owing to the difference in lattice parameter associated with each system.

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Adsorption and reaction of acetaldehyde on stoichiometric and defective SrTiO3(100) surfaces

Article Abstract:

Interactions of CH3CHO with stoichiometric (TiO2-terminated) and reduced SrTiO3(100) surfaces are studied using temperature-programmed desorption (TPD) and X-ray photoelectron spectroscopy (XPS). CH3CHO mostly adsorbs molecularly on the stoichiometric surface where no reaction products are observed at temperatures above 400 K.

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First principles study of the (001) surface of cubic SrHfO3 and SrTiO3

Article Abstract:

The first-principles calculations on the (001) surface of cubic SrHfO3 and SrTiO3 with SrO and BO2 (B=Ti or Hf) terminations are performed. Surface structure, partial density of states, band structure, and surface energy of these compounds are studied.

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