Phase diagrams of epitaxial BaTiO3 ultrathin films from first principles

Bo-Kuai Lai; Kornev, Igor A.; Bellaiche, L.; Salamo, G. J.
March 2005
Applied Physics Letters;3/28/2005, Vol. 86 Issue 13, p132904
Academic Journal
Using a first-principles-based scheme, we determine the qualitative and quantitative effects of surface/interface, thickness and electrical boundary conditions on the temperature-misfit strain phase diagrams of epitaxial (001) BaTiO3 ultrathin films. The microscopic reasons leading to such effects are also revealed.


Related Articles

  • Stability analysis of thin film flow along a heated porous wall. Thiele, Uwe; Goyeau, Benoît; Velarde, Manuel G. // Physics of Fluids;Jan2009, Vol. 21 Issue 1, pN.PAG 

    The time evolution of a thin liquid film flowing down a heated solid porous substrate is investigated. Using the Navier–Stokes and Darcy–Brinkman equations in the film and the porous layer, respectively, the problem is reduced to the study of the evolution equation for the free...

  • Gravity-driven flow over heated, porous, wavy surfaces. Ogden, K. A.; D'Alessio, S. J. D.; Pascal, J. P. // Physics of Fluids;Dec2011, Vol. 23 Issue 12, p122102 

    The method of weighted residuals for thin film flow down an inclined plane is extended to include the effects of bottom waviness, heating, and permeability in this study. A bottom slip condition is used to account for permeability and a constant temperature bottom boundary condition is applied....

  • Bicategories for Boundary Conditions and for Surface Defects in 3-d TFT. Fuchs, Jürgen; Schweigert, Christoph; Valentino, Alessandro // Communications in Mathematical Physics;Jul2013, Vol. 321 Issue 2, p543 

    We analyze topological boundary conditions and topological surface defects in three-dimensional topological field theories of Reshetikhin-Turaev type based on arbitrary modular tensor categories. Boundary conditions are described by central functors that lift to trivializations in the Witt group...

  • Imaging of out-of-plane interfacial strain in epitaxial PbTiO3/SrTiO3 thin films. van Helvoort, A. T. J.; Dahl, Ø.; Soleim, B. G.; Holmestad, R.; Tybell, T. // Applied Physics Letters;2/28/2005, Vol. 86 Issue 9, p092907 

    In this study, we rely on low-angle annular dark-field scanning transmission electron microscopy to probe the interface strain profile in epitaxial PbTiO3/SrTiO3 thin-films. All samples displayed a compressively strained layer at the PbTiO3/SrTiO3 interface, with the strain vector parallel to...

  • Dynamics of ultrathin metal films on amorphous substrates under fast thermal processing. Favazza, Christopher; Kalyanaraman, Ramki; Sureshkumar, Radhakrishna // Journal of Applied Physics;Nov2007, Vol. 102 Issue 10, p104308 

    A mathematical model is developed to analyze the growth/decay rate of surface perturbations of an ultrathin metal film on an amorphous substrate (SiO2). The formulation combines the approach of Mullins [W. W. Mullins, J. Appl. Phys. 30, 77 (1959)] for bulk surfaces, in which curvature-driven...

  • Polarization direction and stability in ferroelectric lead titanate thin films. Dahl, Ø.; Grepstad, J. K.; Tybell, T. // Journal of Applied Physics;Oct2009, Vol. 106 Issue 8, p084104 

    In this article, we examine the initial polarization of PbTiO3 thin films grown epitaxially on SrRuO3 electrodes. It is found that the as-grown predominant polarization is directed toward the SrRuO3 bottom electrode in films thinner than 20 nm and directed toward the top surface in thicker...

  • Interfacial reactions in epitaxial Al/TiN(111) model diffusion barriers: Formation of an impervious self-limited wurtzite-structure AIN(0001) blocking layer. Chun, J.-S.; Desjardins, P.; Lavoie, C.; Shin, C.-S.; Cabral, C.; Petrov, I.; Greene, J. E. // Journal of Applied Physics;6/15/2001, Vol. 89 Issue 12, p7841 

    Single-crystal TiN(111) layers, 45 nm thick, were grown on MgO(111) by ultrahigh vacuum reactive magnetron sputter deposition in pure N[sub 2] discharges at T[sub s]=700 °C. Epitaxial Al(111) overlayers, 160 nm thick, were then deposited at T[sub s]=100 °C in Ar without breaking vacuum....

  • Direct heteroepitaxy of crystalline Y[sub 2]O[sub 3] on Si (001) for high-k gate dielectric applications. Dimoulas, A.; Travlos, A.; Vellianitis, G.; Boukos, N.; Argyropoulos, K. // Journal of Applied Physics;10/15/2001, Vol. 90 Issue 8, p4224 

    This work focuses on the microstructural characteristics of Y[sub 2]O[sub 3] thin films and interfaces, which is related to their suitability as high-k replacement for SiO[sub 2] gate dielectrics in future transistor devices. The films were grown directly on silicon (001) substrates by...

  • The dynamics of amorphous-to-crystalline interface evolution in ion-implanted polycrystalline silicon. England, J. M. C.; Timans, P. J.; Hill, C.; Augustus, P. D.; Ahmed, H. // Journal of Applied Physics;5/1/1993, Vol. 73 Issue 9, p4332 

    Presents a study that investigated the morphology of an evolving amorphous-crystalline interface during solid phase epitaxial regrowth of an ion-implanted polycrystalline silicon film using time-resolved reflectivity measurements. Experimental methods; Results of the study; Conclusions.


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics