Related papers: Local structure of relaxor ferroelectric Sr$_x$Ba$…
Density functional theory (DFT) calculations are used to study the magnetic and ferroelectric properties of Sr$_{1-x}$Ba$_{x}$MnO$_3$, with focus on $x=0.5$, under isotropic volume expansion/compression and biaxial strain. Our results…
Relaxor ferroelectrics have been a focus of intense attention due to their anomalous dielectric characteristics, diffuse phase transitions, and strong piezoelectricity. Understanding the structure and dynamics of relaxors has been one of…
\ We combine density functional theory and molecular dynamics simulations to investigate the impact of Sr concentration and atomic ordering on the structural and ferroelectric properties of (Ba, Sr)TiO$_3$. On one hand, the macroscopic…
Environmentally benign (1-x)Ba(Ti$_{0.8}$Zr$_{0.2}$)O$_3$-x(Ba$_{0.7}$Ca$_{0.3}$)TiO$_3$ (BZT-BCT) ceramics are promising materials due to their remarkable high piezoresponse [Liu and Ren, Phys. Rev. Lett. \textbf{103}, 257602 (2009)]. In…
Systematic local structural studies of Ba$_{1-x}$K$_x$Fe$_2$As$_2$ system are undertaken at room temperature using atomic pair distribution function (PDF) analysis. The local structure of the Ba$_{1-x}$K$_x$Fe$_2$As$_2$ is found to be well…
Neutron diffraction and X-ray pair distribution function (XPDF) experiments were performed in order to investigate the magnetic and local crystal structures of Ba2FeSbSe5 and to compare them to the average (i.e. long-range) structural…
Relaxor ferroelectrics, which can exhibit exceptional electromechanical coupling are some of the most important functional materials with applications ranging from ultrasound imaging to actuators and sensors in microelectromechanical…
The relaxor ferroelectric transition in Cd$_2$Nb$_2$O$_7$ is thought to be described by the unusual condensation of two $\Gamma$-centered phonon modes, $\Gamma_4^-$ and $\Gamma_5^-$. However, their respective roles have proven to be…
Ferroelectric relaxors are complex materials with distinct properties. The understanding of their dielectric susceptibility, which strongly depends on both temperature and probing frequency, have interested researchers for many years. Here…
We report high-resolution neutron powder diffraction on Sr0.61Ba0.39Nb2O6, SBN61, in the temperature range 15-500 K. The results indicate that the low-temperature anomalies (T<100K) observed in the dielectric dispersion are due to small…
The temperature dependent local structure of TbMn2O5 was determined by x-ray absorption spectroscopy. An anomalous Tb-O distribution is found. At high temperature it is broad but resolves into two distinct peaks below approximately 180 K.…
We have combined temperature dependent local structural measurements with first principles density functional calculations to develop a three dimensional local structure model of the misfit system [Ca2CoO3][CoO2]1.61 (referred to as…
A novel lead-free tungsten bronze type ceramic Sr5BiTi3Nb7O30, was prepared by a conventional solid-state reaction route. The room-temperature crystal structure shows an average structure with centro-symmetric space group P4/mbm identified…
We study a minimal model for a relaxor ferroelectric including dipolar interactions, and short-range harmonic and anharmonic forces for the critical modes as in the theory of pure ferroelectrics together with quenched disorder coupled…
We discovered a near room temperature lead-free relaxor-ferroelectric (Ba0.6Bi0.2Li0.2)TiO3 (BBLT) having A-site compositional disordered ABO3 perovskite structure. Microstructure-property relations revealed that the chemical…
Spatial variability of polarization relaxation kinetics in relaxor ferroelectric 0.9Pb(Mg1/3Nb2/3)O3-0.1PbTiO3 is studied using time-resolved Piezoresponse Force Microscopy. Local relaxation attributed to the reorientation of polar…
The local atomic structure of SnSe was characterized across its orthorhmbic-to-orthorhombic structural phase transition using x-ray pair distribution function analysis. Substantial Sn off-centering distortions persist in the high symmetry…
High-performing thermoelectric materials such as Zn$_4$Sb$_3$ and clathrates have atomic disorder as the root to their favorable properties. This makes it extremely difficult to understand and model their properties at a quantitative level,…
Although crystalline solids are characterized by their periodic structures, some are only periodic on average and deviate on a local scale. Distinct local orderings can exist with identical periodic structures making their differences…
Neutron scattering techniques have been used to study the relaxor ferroelectric 0.68PbMg1/3Nb2/3O3-0.32PbTiO3 denoted in this paper as 0.68PMN-0.32PT. On cooling, these relaxor ferroelectrics have a long-range ordered ferroelectric phase…