2014, Wadati, H., Geck, J., Schierle, E., Sutarto, R., He, F.-J., Hawthorn, D.G., Nakamura, M., Kawasaki, M., Tokura, Y., Sawatzky, G.A.

Coherent epitaxial growth allows us to produce strained crystalline films with structures that are unstable in the bulk. Thereby, the overlayer lattice parameters in the interface plane, (a, b), determine theminimum-energy out-of-plane lattice parameter, cmin (a, b).We showbymeans of density-functional total energy calculations that this dependence can be discontinuous and predict related firstorder phase transitions in strained tetragonal films of the elements V, Nb, Ru, La, Os, and Ir. The abrupt change of cmin can be exploited to switch properties specific to the overlayer material. This is demonstrated for the example of the superconducting critical temperature of a vanadium film which we predict to jump by 20% at a discontinuity of cmin.

2019, Sotome, M., Nakamura, M., Fujioka, J., Ogino, M., Kaneko, Y., Morimoto, T., Zhang, Y., Kawasaki, M., Nagaosa, N., Tokura, Y., Ogawa, N.

Photoexcitation in solids brings about transitions of electrons/ holes between different electronic bands. If the solid lacks an inversion symmetry, these electronic transitions support spontaneous photocurrent due to the geometric phase of the constituting electronic bands: the Berry connection. This photocurrent, termed shift current, is expected to emerge on the timescale of primary photoexcitation process. We observe ultrafast evolution of the shift current in a prototypical ferroelectric semiconductor antimony sulfur iodide (SbSI) by detecting emitted terahertz electromagnetic waves. By sweeping the excitation photon energy across the bandgap, ultrafast electron dynamics as a source of terahertz emission abruptly changes its nature, reflecting a contribution of Berry connection on interband optical transition. The shift excitation carries a net charge flow and is followed by a swing over of the electron cloud on a subpicosecond timescale. Understanding these substantive characters of the shift current with the help of first-principles calculation will pave the way for its application to ultrafast sensors and solar cells.