Related papers: A Hidden Quantum Paraelectric Phase in SrTiO3 Indu…
The effects of lattice relaxation in LaTiO$_3$/SrTiO$_3$ superlattices are investigated using a combination of LDA$+U$ density functional theory, and Hartree-Fock effective Hamiltonian calculations. We find noticeable ($\sim 0.1$--0.2 \AA)…
Despite extensive research interests in perovskite oxides, low energy consumption, non-destructive and maneuverable methods for phase transition in perovskite oxides are still the under its exploration, and the underlying mechanisms remain…
EuTiO3 (ETO) has recently experienced an enormous revival of interest because of its possible multiferroic properties which are currently in the focus of research. Unfortunately ETO is an unlikely candidate for enlarged multifunctionality…
Ferroelectric materials offer unprecedented ultrafast responses and are of great interest for the development of new polarizable media under the influence of an electromagnetic field. Recent research efforts have demonstrated the role of…
We carry out first-principles calculations for CaTiO$_3$/BaTiO$_3$ superlattices with epitaxial strain corresponding to growth on a SrTiO$_3$ substrate, and consider octahedral rotations as well as ferroelectric distortions. The…
Materials tuned to the neighbourhood of a zero temperature phase transition often show the emergence of novel quantum phenomena. Much of the effort to study these new effects, like the breakdown of the conventional Fermi-liquid theory of…
Light fields at THz and mid-infrared frequencies allow for the direct excitation of collective modes in condensed matter, which can be driven to large amplitudes. For example, excitation of the crystal lattice, has been shown to stimulate…
Recent experiments on electron- or hole-doped SrTiO$_{3}$ have revealed a hitherto unknown form of superconductivity, where the Fermi energy of the paired electrons is much lower than the energies of the bosonic excitations thought to be…
The dream of room temperature superconductors has inspired intense research effort to find routes for enhancing the superconducting transition temperature (Tc). Therefore, single-layer FeSe on a SrTiO3 substrate, with its extraordinarily…
To enhance the efficiency of next-generation ferroelectric (FE) electronic devices, new techniques for controlling ferroelectric polarization switching are required. While most prior studies have attempted to induce polarization switching…
Nonequilibrium states of quantum materials can exhibit exotic properties and enable unprecedented functionality and applications. These transient states are inherently inhomogeneous, characterized by the formation of topologically protected…
Displacive martensitic phase transition is potentially promising in semiconductor based data storage applications with fast switching speed. In addition to traditional phase transition materials, the recently discovered two-dimensional…
In ferroelectricity, atomic-scale dipole moments interact collectively to produce strong electro-mechanical coupling and switchable macroscopic polarization. Hence, the functionality of ferroelectrics emerges at a solid-solid phase…
Understanding collective phenomena in quantum materials from first principles is a promising route toward engineering materials properties on demand and designing new functionalities. This work examines the quantum paraelectric state, an…
Recent interest in developing fast spintronic devices and laser-controllable magnetic solids has sparked tremendous experimental and theoretical efforts to understand and manipulate ultrafast dynamics in materials. Studies of spin dynamics…
Nonlinear processes involving frequency-mixing of light fields set the basis for ultrafast coherent spectroscopy of collective modes in solids. In certain semimetals and semiconductors, generation of coherent phonon modes can occur by a…
Information technology demands high-speed optoelectronic devices, but going beyond the one terahertz (THz) barrier is challenging due to the difficulties associated with generating, detecting, and processing high-frequency signals. Here, we…
Selective optical excitation of a substrate lattice can drive phase changes across hetero-interfaces. This phenomenon is a non-equilibrium analogue of static strain control in heterostructures and may lead to new applications in optically…
SrTiO$_3$ is an incipient ferroelectric on the verge of a polar instability, which is avoided at low temperatures by quantum fluctuations. Within this unusual quantum paraelectric phase, superconductivity persists despite extremely dilute…
We have investigated the structural phase transitions of the transition metal oxide perovskites SrTiO$_{3}$, LaAlO$_{3}$ and LaTiO$_{3}$ using the screened hybrid density functional of Heyd, Scuseria and Ernzerhof (HSE06). We show that…