Related papers: Phonon soft modes and para- to ferroelectric phase…
A phonon theory of precursor phenomena in martensitic phase transformations is developed. Extending Gr\"uneisen theory of thermal expansion, this theory addresses the effects of deformation-dependent low-energy phonons on the structural,…
We analyze the ground states and the elementary collective excitations (phonons) of a class of systems, which form cluster crystals in the absence of attractions. Whereas the regime of moderate-to-high-temperatures in the phase diagram has…
We have performed a first-principles study of the structural and vibrational properties of the three low-pressure (cubic, tetragonal, and especially monoclinic) phases of ZrO2, with special attention to the computation of the zone-center…
The three dimensional distribution of the X-ray diffuse scattering intensity of BaTiO$_3$ has been recorded in a synchrotron experiment and simultaneously computed using molecular dynamics simulations of a shell-model. Together these have…
Epitaxial strain and chemical substitution have been the workhorses of functional materials design. These static techniques have shown immense success in controlling properties in complex oxides through the tuning of subtle structural…
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…
We clarify the nature of hafnia as a proper ferroelectric and show that there is a shallow double well involving a single soft polar mode as in well-known classic ferroelectrics. Using symmetry analysis, density-functional theory (DFT)…
We have used first-principles methods to investigate the phase diagram of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic and vibrational features that control the occurrence of various relevant structures. More…
Electron- and phonon spectral functions of the one-dimensional, spinless-fermion Holstein model at half filling are calculated in the four distinct regimes of the phase diagram, corresponding to an attractive or repulsive Luttinger liquid…
It was discovered in La1-xSrxMnO3(x~1/8) that a field induced phase transition occurs from a ferromagnetic metal(FM) phase to a ferromagnetic insulator (FI) phase. The magnetization shows a sharp jump at the transition field accompanying…
The structure and polarization of the as-yet hypothetical Ruddlesden-Popper compound Pb$_2$TiO$_4$ are investigated within density-functional theory. Zone enter phonons of the high-symmetry K$_2$NiF$_4$-type reference structure, space group…
Several SrTiO3 (STO) thin films without electrodes processed by pulsed laser deposition, of thicknesses down to 40 nm, were studied using infrared transmission and reflection spectroscopy. The complex dielectric responses of polar phonon…
Results of the experimental study of the electromagnetic pumping of frequency 0.3 THz upon the soft mode phonons in the (Ba, Sr)TiO3 film are presented. Some features of the phonon state are revealed using the capacitor thermometer and the…
We investigate the effect of electron-phonon interaction on the phononic properties in the one-dimensional half-filled Holstein model of spinless fermions. By means of determinantal Quantum Monte Carlo simulation we show that the behavior…
We use variable-temperature x-ray thermal diffuse scattering and inelastic scattering to investigate the lattice dynamics in single crystals of multiferroic CaMn7O12 which undergo a series of orbital and magnetic transitions at low…
Single crystals of a ternary relaxor ferroelectric system, 0.29Pb(In1/2Nb1/2)O3-0.45Pb(Mg1/3Nb2/3)O3-0.26PbTiO3, have been studied using triple-axis based elastic and inelastic neutron scattering. Elastic diffuse scattering confirms the…
While ferroelectric hafnia ($\mathrm{HfO_2}$) has become a technically important material for microelectronics, the physical origin of its ferroelectricity remains poorly understood. The tetragonal $P4_2/nmc$ phase is commonly assigned as…
EuTiO_{3} undergoes a structural phase transition from cubic to tetragonal at T_S = 282 K which is not accompanied by any long range magnetic order. However, it is related to the oxygen ocathedra rotation driven by a zone boundary acoustic…
We report the observation of a phase transition in a KTaO$_3$ crystal, corresponding to a paraelectric-to-ferroelectric transition. The crystal was placed inside a copper cavity to form a dielectric-loaded microwave cavity, and the…
These are notes for lectures delivered at the NATO ASI on Dynamics in Leiden, The Netherlands, in July 1998. The main concepts relating to quantum phase transitions are explained, using the paramagnet-to-ferromagnet transition of itinerant…