相关论文: Simulating terahertz field-induced ferroelectricit…
"Hidden phases" are metastable collective states of matter that are typically not accessible on equilibrium phase diagrams. These phases can host exotic properties in otherwise conventional materials and hence may enable novel functionality…
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…
Light-induced ferroelectricity in quantum paraelectrics is a new avenue of achieving dynamic stabilization of hidden orders in quantum materials. In this work, we explore the possibility of driving transient ferroelectric phase in the…
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,…
We demonstrate how the quantum paraelectric ground state of SrTiO$_3$ can be accessed via a microscopic $ab~initio$ approach based on density functional theory. At low temperature the quantum fluctuations are strong enough to stabilize the…
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…
Intense terahertz (THz) pulses induce transient inversion-symmetry breaking in quantum paraelectric SrTiO$_3$, yet the underlying mechanism remains controversial. Using fields up to $\sim$1.1 MV/cm, we reveal spatially inhomogeneous…
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…
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…
A theory to describe the dielectric anomalies and the ferroelectric phase transition induced by oxygen isotope replacement in SrTiO$_3$ is developed. The proposed model gives consistent explanation between apparently contradictory…
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…
Optical cavities confine light on a small region in space which can result in a strong coupling of light with materials inside the cavity. This gives rise to new states where quantum fluctuations of light and matter can alter the properties…
SrTiO$_{3}$, a quantum paraelectric, becomes a metal with a superconducting instability after removal of an extremely small number of oxygen atoms. It turns into a ferroelectric upon substitution of a tiny fraction of strontium atoms with…
We present a comprehensive investigation of light-induced phase transitions and strain in two-dimensional NbOX$_{2}$ (X = Cl, Br, I) using first-principles calculations. In particular, we identify a light-induced…
SrTiO3 is an incipient ferroelectric that is believed to exhibit a prototype displacive, soft mode ferroelectric transition when subjected to mechanical stress or alloying. We use high-angle annular dark-field imaging in scanning…
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…
A parameterized effective Hamiltonian approach is used to investigate KTaO$_3$. We find that the experimentally observed anomalous dielectric response of this incipient ferroelectric is well reproduced by this approach, once quantum effects…
I show that a nonequilibrium paraelectric to ferroelectric transition can be induced using midinfrared pulses. This relies on a quartic $lQ_{\textrm{l$_z$}}^2Q_{\textrm{h$_x$}}^2$ coupling between the lowest ($Q_{\textrm{l$_z$}}$) and…
An effective Hamiltonian for the ferroelectric transition in $PbTiO_3$ is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…
Pure SrTiO3 in bulk form is known to be an incipient ferroelectric where the quantum fluctuations of lattice positions prevent long range ferroelectric ordering at a finite temperature. We show evidence and identify the origin of…