Related papers: Lattice instabilities in bulk EuTiO3
First principles calculations are used to investigate the effects of epitaxial strain on the structure of the perovskite oxide CaTiO$_3$, with particular focus on the stabilization of a ferroelectric phase related to a polar instability…
Lead titanate (PbTiO3) is a classical example of a ferroelectric perovskite oxide illustrating a displacive phase transition accompanied by a softening of a symmetry-breaking mode. The underlying assumption justifying the soft-mode theory…
A method for evaluating the piezoelectric response of unpoled ferroelectric ceramics from elastic and dielectric measurements is proposed and tested on BaTiO$_3$. The method is based on the observation that the softening in a ferroelectric…
We measured phonon dispersion in single crystal EuTiO$_3$ using inelastic x-ray scattering. A structural transition to an antiferrodistortive phase was found at a critical temperature $T_0$=287$\pm$1 K using powder and single-crystal x-ray…
Lead-free perovskite ceramics Ba(1-x)LaxTi0.89Sn0.11O3 with x= 0, 0.015, 0.025, and 0.035 (BLTSnx) were synthesized by solid-state reaction method. The enhanced energy storage properties were studied across the ferroelectric relaxor…
Inelastic neutron scattering studies in single crystals of TbInO3 and TbIn0.95Mn0.05O3 with nearly-triangular antiferromagnetic lattice are reported. At low energies, a broad and apparently gapless continuum of magnetic excitations, located…
Experimental and theoretical studies of unusual polar, dielectric and magnetic properties of room temperature multiferroics, such as perovskites Pb(Fe$_{1/2}$Nb$_{1/2}$)O$_3$ (PFN) and Pb(Fe$_{1/2}$Ta$_{1/2}$)O$_3$ (PFT), are very…
Specific heat measurements and theoretical calculations reveal an intimate analogy between EuTiO3 and SrTiO3. For EuTiO3 a hitherto unknown specific heat anomaly is discovered at TA=282(1)K which is analogous to the well known specific heat…
The organic-inorganic hybrid perovskite CH3NH3PbI3 has attracted significant interest for its high performance in converting solar light into electrical power with an efficiency exceeding 20%. Unfortunately, chemical stability is one major…
Barium zirconate BaZrO3 is one of few perovskites that is claimed to retain an average cubic structure down to 0K at ambient pressure, while being energetically very close to a tetragonal phase obtained by condensation of a soft phonon mode…
BaZrO3 is a perovskite that remains in the simple cubic phase at all temperatures, hence with no first-order Raman-active phonon mode allowed by symmetry. Yet, it exhibits an intense Raman spectrum with sharp and well-defined features.…
The nature of the lattice instability connected to the structural transition and superconductivity of (Sr,Ca)$_3$Ir$_4$Sn$_{13}$ is not yet fully understood. In this work density functional theory (DFT) calculations of the phonon…
The phonon renormalization across the semiconductor-to-metal crossover in FeSi is investigated by inelastic neutron scattering combined with \textit{ab-initio} lattice dynamical calculations. A significant part of reciprocal space with a…
Model materials are precious test cases for elementary theories and provide building blocks for the understanding of more complex cases. Here, we describe the lattice dynamics of the structural phase transition in francisite…
In Eu2ZnIrO6, effectively two atoms are active i.e. Ir is magnetically active, which results in complex magnetic ordering within the Ir sublattice at low temperature. On the other hand, although Eu is a van-vleck paramagnet, it is active in…
We use ultrafast optical spectroscopy to investigate the electronic and lattice dynamics of the charge-density wave (CDW) material 1$T$-TiSe$_2$ across various temperatures and pump fluences. We reveal a close relationship between the…
A comprehensive bulk and surface investigation of high-quality In$_2$O$_3$(001) single crystals is reported. The transparent-yellow, cube-shaped single crystals were grown using the flux method. Inductively coupled plasma mass spectrometry…
The incompatibility of partial d occupation on the perovskite B-site with the standard charge transfer mechanism for ferroelectricity has been a central paradigm in multiferroics research. Nevertheless, it was recently shown by density…
Successive magnetic phase transitions at $T_{\text{N}}$=12.2 K, $T_{\text{N}}^{\;\prime}$=7.0 K, and $T_{\text{N}}^{\;*}$=5.0 K in EuIrGe$_3$, an intermetallic compound with a body centered tetragonal lattice belonging to a polar space…
We present a first-principles investigation of structural and elastic properties of experimentally observed phases of bulk SrRuO$_3$ - namely orthorhombic, tetragonal, and cubic - by applying density functional theory (DFT) approximations.…