Related papers: Ferroelectricity in strained Ca$_{0.5}$Sr$_{0.5}$T…
Neutron scattering studies and measurements of the dielectric susceptibility and ferroelectric polarization P have been carried out in various magnetic fields H for single-crystal samples of the multiferroic system LiVCuO4 with quasi…
Superlattices composed of ferromagnetics, namely La$_{0.7}$Ca$_{0.3}$MnO$_3$ (LCMO), and ferroelectrics, namely, BaTiO$_3$(BTO) were grown on SrTiO$_3$ at 720$^o$C by pulsed laser deposition process. While the out-of-plane lattice…
SrTiO3 is a textbook quantum paraelectric, with ferroelectricity purportedly suppressed by quantum fluctuations of ionic positions down to the lowest temperatures. The precise real space structure of SrTiO3 at low temperature, however, has…
We present a first-principles investigation of ferroelectricity in layered perovskite oxide La2Ti2O7 (LTO), one of the compounds with highest Curie temperature known (1770 K). Our calculations reveal that LTO's ferroelectric transition…
The structural, electronic, elastic and optical properties of tetragonal (P4mm) phase of Pb0.5Sn0.5TiO3 (PSTO) and Pb0.5Sn0.5Ti0.5(Zr0.5)O3 (PSTZO) are examined by first-principles calculations based on the density functional theory (DFT)…
SrTiO3 templates have been used to integrate epitaxial bilayers of ferroelectric Hf0.5Zr0.5O2 and La2/3Sr1/3MnO3 bottom electrode on Si(001). The Hf0.5Zr0.5O2 films show enhanced properties in comparison to equivalent films on SrTiO3(001)…
In this Thesis, a study of the electronic structure of two Ti-based oxide systems, TiO2 thin films and the ultra-thin LaAlO3-SrTiO3 (LAO-STO) heterojunctions, is given. A weak room-temperature ferromagnetism (FM) has been detected in…
We investigate the structural, electronic, transport, and thermoelectric properties of LaNiO$_3$/SrTiO$_3(001)$ superlattices containing either exclusively $n$- or $p$-type interfaces or coupled interfaces of opposite polarity by using…
Ferroelectric BiFeO3 thin films and artificial superlattices of (BiFeO3)m(SrTiO3)m (m~ 1 to 10 unit cells) were fabricated on (001)-oriented SrTiO3 substrates by pulsed laser ablation. The variation of leakage current and macroscopic…
Fluctuating orders in solids are generally considered high-temperature precursors of broken symmetry phases. However, in some cases these fluctuations persist to zero temperature and prevent the emergence of long-range order, as for example…
We have fabricated PbTiO$_{3}$/SrRuO$_{3}$ superlattices with ultra-thin SrRuO$_{3}$ layers. Due to the superlattice geometry, the samples show a large anisotropy in their electrical resistivity, which can be controlled by changing the…
The electronic structure of crystalline CdTe, CdO, $\alpha$-TeO$_2$, CdTeO$_3$ and Cd$_3$TeO$_6$ is studied by means of first principles calculations. The band structure, total and partial density of states, and charge densities are…
An emerging area in condensed matter physics is the use of multilayered heterostructures to enhance ferroelectricity in complex oxides. Here, we demonstrate that optically pumping carriers across the interface between thin films of a…
For spintronics applications, it is highly desirable to realize highly-spin-polarized two-dimensional (2D) electron systems in electrically-controllable epitaxial ultrathin films on semiconductor substrates. Through systematic…
Density-functional calculations of lattice dynamics and high-resolution synchrotron powder diffraction uncover antiferroelectric distortion in the kagome francisite Cu$_3$Bi(SeO$_3$)$_2$O$_2$Cl below 115K. Its Br-containing analogue is…
Ferroelectric domains were investigated using piezoresponse force microscopy in superlattices composed of multiferroic BiFeO3 and SrTiO3 layers. Compared to single BiFeO3 thin films, a reduction in the domains size and a suppression of the…
Ab initio calculations of the electric polarization of correlation-driven insulating materials, namely Mott insulators, have not been possible so far. Using a combination of density functional theory and dynamical-mean-field theory we study…
The competitions between ferroelectric and rotational instabilities in rhombohedral PZT near x = 0.5 are investigated using first principles density functional supercell calculations. As expected, we find a strong ferroelectric instability.…
Very thick films of BiCrO$_3$ have been grown on a SrTiO$_3$ substrate, maintaining a tetragonal lattice up to thicknesses of 14,000\AA. Assuming we can treat films of this thickness as bulk crystals, we first calculated the experimentally…
The discovery of ferroelectric polarization in HfO2-based ultrathin films has spawned a lot of interest due to their potential applications in data storage. Recently, a new R3m rhombohedral phase was proposed to be responsible for the…