Related papers: The quantum paraelectric phase of SrTiO$_3$ from f…
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…
Coherent manipulation of lattice vibrations using ultrafast light pulses enables access to nonequilibrium 'hidden' phases with designed functionalities in quantum materials. However, expanding the understanding of nonlinear light-phonon…
The temperature dependence of static dielectric susceptibility of a system with strongly coupled fluctuating dipoles is calculated within a self consistent mean fluctuation field approximation. Results are qualitatively in good agreement…
Similar to other perovskites in its family, $\mathrm{SrTiO_{3}}$ exhibits a significant softening of the ferroelectric mode with decreasing temperature, a behavior that typically heralds the onset of a ferroelectric transition. However,…
Recent experiments have demonstrated that light can induce a transition from the quantum paraelectric to the ferroelectric phase of SrTiO$_3$. Here, we investigate this terahertz field-induced ferroelectric phase transition by solving the…
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 an inexpensive first-principles approach for describing quantum paraelectricity that combines density functional theory (DFT) treatment of the electronic subsystem with quantum mechanical treatment of the ions through solution of…
Despite important breakthroughs in the last decade, the calculation of temperature dependent properties of solids still remains a challenging task, especially in the vicinity of structural phase transitions. We show that the combination of…
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…
Composites of ferroelectric and paraelectric perovskites have attracted a lot of attention due to their application potential in energy storage as well as novel computing and memory devices. So far the main focus of research has been on…
The effect of ferroelectric fluctuations on the temperature dependent dielectric constant of SrTiO$_3\,$(STO) has been long studied. Those fluctuations have been shown in recent years to be quantum critical and STO demonstrated to form the…
A realistic theory of the quantum paraelectric - ferroelectric transition is presented, involving parameters determined from band calculations and a renormalization group treatment of critical fluctuations. The effects of reduced…
EuTiO_3 is shown to exhibit novel strong spin-charge-lattice coupling deep in the paramagnetic phase. Its existence is evidenced by an, until now, unknown response of the paramagnetic susceptibility at temperatures exceeding the structural…
Quantitative description of finite-temperature properties of displacive ferroelectrics, and in particular the critical behavior, is of fundamental importance to both theory and device design, going beyond the Landau-Ginzburg approach, which…
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…
It has been known for a long time that the low temperature behavior shown by the dielectric constant of quantum paraelectric $SrTiO_{3}$ can not be fitted properly by Barrett's formula using a single zero point energy or saturation…
Dielectric spectroscopy of $SrTiO_3$ single crystal over a broad range of microwave frequency using quasi $TE_{m,1,1}$ and quasi $TM_{m,1,1}$ modes reveals crystal asymmetry from typical measurement of $Q$-factor, transmission or frequency…
We use the self-consistent harmonic approximation (SSCHA) with machine learning interatomic potentials to calculate the effect of $^{18}$O substitution on the properties of quantum paraelectric SrTiO$_3$ (STO). We find that calculations…
Many functionally relevant ferroic phenomena in quantum materials can be manipulated by driving the lattice coherently with optical and terahertz pulses. New physical phenomena and non-equilibrium phases that have no equilibrium counterpart…
Here a recently observed weak first order transition in doped SrTiO3 is argued to be a consequence of the coupling between strain and order parameter fluctuations. Starting with a semi-microscopic action, and using renormalization group…