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We present the results of the thermodynamic theory of piezoelectric ferroelectrics and of the phenomenological theory of thermodynamic characteristics of the KH$_{2}$PO$_{4}$ type ferroelectrics. Available experimental data for the…
PbTaSe2 is a non-centrosymmetric topological semimetal. In this work we have explored the structural, elastic, mechanical, bonding, electronic, acoustic, thermal, and optical properties of PbTaSe2. The electronic bond structure calculations…
In this research, we examine the electronic, magnetic, and lattice properties of the Fe$_4$(P$_2$O$_7$)$_3$ compound using the first principles calculations based on the density functional theory. The crystal lattice has a monoclinic…
The structural, magnetic, vibrational and electronic properties of single layer aluminum oxide (AlO2) are investigated by performing state-of-the-art first-principles calculations. Total energy optimization and phonon calculations reveal…
Within the framework of proton model with taking into account the piezoelectric interaction with the shear strain $\varepsilon_4$, a dynamic dielectric response of KH$_2$PO$_4$ family crystals to the electric field perpendicular to the axis…
Within the modified four-sublattice model of RbHSO$_{4}$ with taking into account the piezoelectric coupling to the strains $\varepsilon_i$, $\varepsilon_4$, $\varepsilon_5$, and $\varepsilon_6$, the polarization components, static and…
A continuous-wave Ti:sapphire laser at 795 nm is frequency doubled in a bow-tie type enhancement four-mirror ring cavity with LiB3O5 (LBO), BiB3O6 (BiBO), and periodically polled KTiOPO4 (PPKTP) crystals, respectively. The properties of…
BaAl$_2$O$_4$ is a ferroelectric material that exhibits structural quantum criticality through chemical composition tuning. Although theoretical calculations and several diffraction experiments have suggested the involvement of a soft mode…
By means of one-step model calculations the strong in-plane anisotropy seen in angle-resolved photoemission of the well-known iron pnictide prototype compounds BaFe$_2$As$_2$ and Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ in their low-temperature…
An optimization procedure determining the ideal configuration at the microstructural level of ferroelectric (FE) materials is applied to maximize piezoelectricity. Piezoelectricity in ceramic FEs differ significantly from that of single…
Ba2CoGe2O7, crystallizing in the noncentrosymmetric but nonpolar structure, belongs to a special class of multiferroic materials, whose properties are predetermined by the rotoinversion symmetry. Unlike inversion, the rotoinversion symmetry…
A new theory is developed for the magnetoelectric (ME) coupling in a symmetric 2-2 ME laminate having a representative piezoelectric crystal (PMN-PT) particularly with anisotropic piezoelectric properties. Considering the average field…
Structural, electronic, and optical properties for the cubic, tetragonal, and monoclinic crystalline phases of ZrO2, as derived from it ab initio full-relativistic calculations, are presented. The electronic structure calculations were…
Direct holographic recording in undoped Bi$_{12}$TiO$_{20}$ crystal at 1064 nm is investigated aiming the characterization of diffraction efficiency under action of applied dc electric field ($E_0$). An enhancement of 12-fold in the…
We report our first-principles investigations on three polytypes of BaTiO3 (BTO): a paraelectric phase with cubic Pm-3m structure and two ferroelectric (FE) phases with tetragonal P4mm and rhombohedral R3m structures. We compared the…
The temperature dependence of the elastic properties of antiferroelectric PbHfO3 was investigated by Brillouin scattering. The two structural phase transitions of antiferroelectric-antiferroelectric-paraelectric phases were clearly…
Piezoelectrics play a critical role in various applications. The permanent dipole associated with the molecular cations in organometal-halide perovskites (OMHPs) may lead to spontaneous polarization and thus piezoelectricity. Here, we…
The orientational and translational order of a thermotropic ferroelectric liquid crystal (2MBOCBC) imbibed in self-organized, parallel, cylindrical pores with radii of 10, 15, or 20 nm in anodic aluminium oxide monoliths (AAO) are explored…
Li2FeSiO4 is an important alternative cathode for next generation Li-ion batteries due to its high theoretical capacity (330 mA h/g). However, its development has faced significant challenges arising from structural complexity and poor…
We have performed elasticity measurements in the bulk multiferroic BiFeO3 (BFO) using acoustical pump and probe spectroscopy. The sound velocities of the (quasi)-longitudinal and of the two (quasi)-transverse acoustic waves along three…