Related papers: Effect of quantum fluctuations on structural phase…
Fracton phases are a particularly exotic type of quantum spin liquids where the elementary quasiparticles are intrinsically immobile. These phases may be described by unconventional gauge theories known as tensor or multipolar gauge…
We develop a first-principles scheme to study ferroelectric phase transitions for perovskite compounds. We obtain an effective Hamiltonian which is fully specified by first-principles ultra-soft pseudopotential calculations. This approach…
Based on the earlier published theory (\textit{Nature Mat}. \textbf{18}, 223--228 (2019)), a comprehensive experimental investigation of multiferroic quantum critical behavior of (Eu,Ba,Sr)TiO$_3$ polycrystalline and single crystal samples…
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…
Pd(100) ultrathin films show ferromagnetism induced by the confinement of electrons in the film, i.e., the quantum-well mechanism. In this study, we investigate the effect of the change in the interface structure between a Pd film 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…
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…
Heterointerfaces of SrTiO$_{3}$ with other transition metal oxides make up an intriguing family of systems with a bounty of coexisting and competing physical orders. Some examples, such as LaAlO$_{3}$/SrTiO$_{3}$, support a high carrier…
The anomalous transport and thermodynamic properties in the quantum-critical region, in the cuprates, and in the quasi-two dimensional Fe-based superconductors and heavy-fermion compounds, have the same temperature dependences. This can…
According to x-ray diffraction (XRD) measurements, PbTiO$_3$ undergoes a phase transition from a tetragonal ferroelectric (FE) phase to a cubic paraelectric phase at 763 K. However, x-ray absorption fine-structure (XAFS) measurements…
We theoretically analyze the effect of parameter fluctuations on the superradiance phase transition in a setup where a large number of superconducting qubits are coupled to a single cavity. We include parameter fluctuations that are typical…
Phase transition between ferroelectricity and quantum paraelectricity via non-thermal tuning parameters can lead to quantum critical behavior and associated emergent phenomena. Ferroelectric quantum critical systems are, however, rare…
The ferroelectric to paraelectric phase transition in LiTaO$_3$ and in pure as well as Mg doped LiNbO$_3$ is investigated theoretically by atomistic calculations in the framework of the density functional theory, as well as experimentally…
A field-effect transistor that employs a perovskite-type SrTiO3 single crystal as the semiconducting channel is revealed to function as n-type accumulation-mode device with characteristics similar to that of organic FET's. The device was…
We study the effects of random fluctuations on quantum phase transitions by the energy gap analysis. For the infinite-ranged spin-glass models with a transverse field, we find that a strong sample-to-sample fluctuation effect leads to broad…
The effect of Sr doping in BaTiO3 (BTO) with nominal compositions Ba0.80Sr0.20TiO3 (BSTO) have been explored in its structural, lattice vibration, dielectric, ferroelectric and electrocaloric properties. The temperature dependent dielectric…
First-principles total-energy calculations are carried out for (001) surfaces of the cubic perovskite ATiO3 compounds PbTiO3, BaTiO3, and SrTiO3. Both AO-terminated and TiO2-terminated surfaces are considered, and fully-relaxed atomic…
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…
Anhydrous sodium hydroxide, a common and structurally simple compound, shows spectacular isotope effects: NaOD undergoes a first-order transition, which is absent in NaOH. By combining ab initio electronic structure calculations with path…
Precise specific heat of barium titanate single crystals of different quality has been measured with special attention to the temperature region above the ferroelectric phase transition. It is shown that excess specific heat of the…