Domain evolution of BaTiO3 ultrathin films under electric field: a first-principles study

A first-principles-derived method is used to study the morphology and electric-field-induced evolution of stripe nanodomains in (001) BaTiO3 (BTO) ultrathin films, and to compare them with those in (001) Pb(Zr,Ti)O3 (PZT) ultrathin films. The BaTiO3 systems exhibit 180o periodic stripe domains at null electric field, as in PZT ultrathin films. However, the stripes alternate along [1-10] in BTO systems versus [010] in PZT systems, and no in-plane surface dipoles occur in BTO ultrathin films (unlike in PZT materials). Moreover, the evolution of the 180o stripe domains in the BaTiO3 systems, when applying and increasing an electric field along [001], involves four regions: Region I for which the magnitude of the down dipoles (i.e., those that are antiparallel to the electric field) is reduced, while the domain walls do not move; Region II in which some local down dipoles adjacent to domain walls switch their direction, resulting in zigzagged domain walls - with the overall stripe periodicity being unchanged; Region III in which nanobubbles are created, then contract along [110] and finally collapse; and Region IV which is associated with a single monodomain. Such evolution differs from that of PZT ultrathin films for which neither Region I nor zigzagged domain walls exist, and for which the bubbles contract along [100]. Discussion about such differences is provided.Comment: 19 pages, 4 figures, 27 references, submitted to Phys. Rev.

Interfacial dynamics in transport-limited dissolution

Various model problems of ``transport-limited dissolution'' in two dimensions are analyzed using time-dependent conformal maps. For diffusion-limited dissolution (reverse Laplacian growth), several exact solutions are discussed for the smoothing of corrugated surfaces, including the continuous analogs of ``internal diffusion-limited aggregation'' and ``diffusion-limited erosion''. A class of non-Laplacian, transport-limited dissolution processes are also considered, which raise the general question of when and where a finite solid will disappear. In a case of dissolution by advection-diffusion, a tilted ellipse maintains its shape during collapse, as its center of mass drifts obliquely away from the background fluid flow, but other initial shapes have more complicated dynamics.Comment: 5 pages, 4 fig

Laser-induced nuclear excitation

An analysis is presented of the Coulomb excitation of low lying nuclear levels by the electrons produced by strong field ionization of atoms. It is shown that the resulting short lived radioactivity can be as high as on the order of 10³Ci for certain isotopes excited by using modern laser systems. Relativistic effects are demonstrated that substantially increase radioactivity as compared tothat predicted by nonrelativistic theory resultsyesBelgorod State Universit

Phase diagram of Pb(Zr,Ti)O3 solid solutions from first principles

A first-principles-derived scheme, that incorporates ferroelectric and antiferrodistortive degrees of freedom, is developed to study finite-temperature properties of PbZr1-xTixO3 solid solutions near its morphotropic phase boundary. The use of this numerical technique (i) resolves controversies about the monoclinic ground-state for some Ti compositions, (ii) leads to the discovery of an overlooked phase, and (iii) yields three multiphase points, that are each associated with four phases. Additional neutron diffraction measurements strongly support some of these predictions.Comment: 10 pages, 2 figure