Amirullah M. Mamedov

Optical Properties of the Narrow-Band Ferroelectrics: First Principle Calculations

Based on density functional theory, we have studied the electronic, and optical properties of narrow-band ferroelectric compounds – (Ge,Sn) Te. Generalized gradient approximation has been used for modeling exchange-correlation effects. The lattice parameters of the considered compounds have been calculated. The calculated electronic band structure shows that GeTe and SnTe compounds have a direct forbidden band gap of 0.742 and 0.359 . The real and imaginary parts of dielectric functions and therefore, the optical functions such as energy-loss function, as well as the effective number of valance electrons and the effective optical dielectric constant are all calculated. Our structural estimation and some other results are in agreement with the available experimental and theoretical data.

Optical, electronic, and elastic properties of some A5B6C7 ferroelectrics (A=Sb, Bi; B=S, Se; C=I, Br, Cl): First principle calculation

ABSTRACT In present paper, we focus on the structural, mechanical, electronic, and optical properties for the A5B6C7(A = Sb, Bi; B = Te, Se; S; C = I, Br, Cl) compounds using the density functional methods in generalized gradient approximation. The lattice parameters, mechanical properties, electronic bands structures and the partial densities of states corresponding to the band structures, and optical properties are presented and analysed. Our structural estimation and some other results are in agreement with the available experimental and theoretical data.

Topological insulator based locally resonant phononic crystals: Wave propagation and acoustic band gaps

ABSTRACT In the present work the acoustic band structure of a two-dimensional phononic crystal (PC) containing an organic ferroelectric (PVDF- polyvinylidene fluoride) and topological insulator (Bi2Te3) were investigated by the plane-wave-expansion (PWE) method. Two-dimensional PC with square lattices composed of Bi2Te3 cylindrical rods embedded in the PVDF matrix are studied to find the existence of stop bands for the waves of certain energy. Phononic band diagram ω = ω(k) for a 2D PC along the Г-X-M-Г path in the square Brillouin zone show four stop bands in the frequency range 0.01–8.0 kHz.

Optical and electronic properties of orthorhombic and trigonal AXO3 (A=Cd, Zn; X=Sn, Ge): First principle calculation

ABSTRACT Electronic structure and optical properties of the CdXO3 and ZnXO3 (X˭Ge, Sn) compounds have been investigated based on density functional theory. According to the predictive results, reveal that the CdXO3 and ZnXO3 would be candidates for a high performance lead free optical crystal, which will avoid the environmental toxicity problem of the lead-based materials.

Dynamic Nonlinear Optical Processes in Some Oxygen-Octahedra Ferroelectrics: First Principle Calculations

The nonlinear optical properties and electro-optic effects of some oxygen-octahedra ferroelectrics are studied by the density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle calculations without the scissor approximation. We present calculations of the frequency- dependent complex dielectric function and the second harmonic generation response coefficient over a large frequency range in tetragonal and rhombohedral phases. The electronic linear electro-optic susceptibility is also evaluated below the band gap. These results are based on a series of the LDA calculation using DFT. The results for are in agreement with the experiment below the band gap and those for are compared with the experimental data where available.

Organic semiconductor-based photonic crystals for solar cell arrays: band gap and optical properties

Photonic crystals (PCs) hold great potential for designing new optical devices because of the possibility of the manipulation of light with PCs. There has been an increase in research on tuning the optical properties of PCs to design devices. We design organic semiconductor-based PC structures and calculate optical properties using the plane wave expansion method and finite-difference time-domain method in an air background for a hexagonal lattice. We showed the possibility of the solar cell arrays for a 2D PC cavity on an organic semiconductor base infiltrated with a nematic liquid crystal. E7 type has been used as a nematic liquid crystal and 4,4′-Bis[4-(diphenylamino) styryl]biphenyl as an organic semiconductor material.

AVBVICVII ferroelectrics as novel materials for phononic crystals

ABSTRACT In the present work the acoustic band structure of a two-dimensional (2D) phononic crystal (PC) containing a semiconducting ferroelectric - AVBVICVII (A = Sb, Bi; B = S, Se, Te; C = I, Br, and Cl) was investigated theoretically and numerically by the plane-wave-expansion (PWE) method. Two-dimensional PC with square lattices composed of semiconducting ferroelectric cylindrical rods embedded in the organic/inorganic matrix is studied to find the existence of stop bands for the waves of certain energy. This phononic bandgap - forbidden frequency range - allows sound to be controlled in many useful ways in structures that can act as sonic filters, waveguides or resonant cavities. Phononic band diagram ω = ω(k) for a 2D PC was plotted versus the wavevector k along the Г-X-M-Г path in the square Brillouin zone (BZ). The band diagram shows four stop bands in the wide frequency range. The unusual properties of matrix and ferroelectric properties of AVBVICVII give us ability to control the wave propagation through the PC in over a wide frequency range. We study the 2D composites by solving the basic acoustic wave equation and use Bloch wave analysis to identify the band gaps.

BaTiO3 and TeO2 based gyroscopes for guidance systems: FEM analysis

ABSTRACT This paper presents the design, modeling and finite element model simulation of a micro-electromechanical system based on the ternary ferroelectric compounds and paratellurite. The dynamic behavior of the sensor structure is described by the super position of its dominant vibration mode shapes. The resulting model still considers all the physical domains and is even able to capture nonlinear phenomena, such as the stress stiffening of constraint structures or frequency and stiffening caused by squeezed gas in the sensor cell. Process induced and thermally induced residual stresses and the resulting deformation of the transducer elements are considered.

Phononic band gap and wave propagation on polyvinylidene fluoride-based acoustic metamaterials

Abstract In the present work, the acoustic band structure of a two-dimensional phononic crystal (PC) containing an organic ferroelectric (PVDF-polyvinylidene fluoride) and topological insulator (SnTe) was investigated by the plane-wave-expansion (PWE) method. Two-dimensional PC with square lattices composed of SnTe cylindrical rods embedded in the PVDF matrix is studied to find the allowed and stop bands for the waves of certain energy. Phononic band diagram ω = ω(k) for a 2D PC, in which non-dimensional frequencies ωa/2πc (c-velocity of wave) were plotted vs. the wavevector k along the Г–X–M–Г path in the square Brillouin zone shows five stop bands in the frequency range between 10 and 110 kHz. The ferroelectric properties of PVDF and the unusual properties of SnTe as a topological material give us the ability to control the wave propagation through the PC over a wide frequency range of 103–106 Hz. SnTe is a discrete component that allows conducting electricity on its surface but shows insulator properties through its bulk volume. Tin telluride is considered as an acoustic topological insulator as the extension of topological insulators into the field of “topological phononics”.