Browsing by Author "Palaz, S."

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Open Access
Band structure and transmission spectra in multiferroic based Sierpinski-carpet phononic crystal
(EDP Sciences, 2020-06) Özer, Z.; Palaz, S.; Mamedov, Amirullah M.; Özbay, Ekmel
In this study, the band structure and transmission spectra in multiferroic based Sierpinski-carpet phononic crystal are investigated based on finite element simulation. In order to obtain the band structure of the phononic crystal (PnC), the Floquet periodicity conditions were applied to the sides of unit cell. The square lattice PnC consists of various piezoelectric inclusion in a rubber matrix with circular and triangular cross section.
Open Access
Complete photonic band gaps in Sn2P2X6 (X = S, Se) supercell photonic crystals
(Taylor & Francis, 2020-04) Şimşek, Ş.; Palaz, S.; Koç, H.; Mamedov, Amirullah M.; Özbay, Ekmel
In this work, we present an investigation of the optical properties and band structures for the photonic crystal structures (PCs) based on Sn2P2X6: X = S, Se) with Fibonacci superlattices. The optical properties of PCs can be tuned by varying structure parameters such as the lengths of poled domains, filling factor, and dispersion relation. In our simulation, we employed the finite-difference time domain technique and the plane wave expansion method, which implies the solution of Maxwell equations with centered finite-difference expressions for the space and time derivatives.
Open Access
Elastic and optical properties of sillenites: First principle calculations
(Taylor & Francis, 2020-04) Koç, H.; Palaz, S.; Şimşek, Ş.; Mamedov, Amirullah M.; Özbay, Ekmel
In the present paper, we have investigated the electronic structure of some sillenites - Bi12MO20 (M = Ti, Ge, and Si) compounds based on the density functional theory. The mechanical and optical properties of Bi12MO20 have also been computed. The second-order elastic constants have been calculated, and the other related quantities have also been estimated in the present work. The band gap trend in Bi12MO20 can be understood from the nature of their electronic structures. The obtained electronic band structure for all Bi12MO20 compounds is semiconductor in nature. Similar to other oxides, there is a pronounced hybridization of electronic states between M-site cations and anions in Bi12MO20. Based on the obtained electronic structures, we further calculate the frequency-dependent dielectric function and other optical functions.
Open Access
Electronic and elastic properties of the multiferroic crystals with the Kagome type lattices -Mn3V2O8 and Ni3V2O8: First principle calculations
(Taylor & Francis, 2019-08-16) Koç, H.; Palaz, S.; Mamedov, Amirullah M.; Özbay, Ekmel
The electronic, mechanical, and optical properties of the Kagome staircase compounds, Mn3V2O8 and Ni3V2O8, have been investigated using the VASP (Vienna ab-initio Simulation Program) that was developed within the density functional theory (DFT). The spin polarized generalized gradient approximation has been used for modeling exchange-correlation effects. The electronic band structures for both compounds and total and partial density of states corresponding to these band structures have been calculated. Spin up (spin down) Eg values for Mn3V2O8 and Ni3V2O8 compounds are 0.77 eV indirect (3.18 direct) and 1.58 eV indirect (0.62 eV) direct, respectively. The band gaps of both compound is in the d-d character. Bulk modulus, shear modulus, Young's modulus, Poisson's ratio, anisotropic factors, sound velocity, and Debye temperature were calculated and interpreted.
Open Access
Electronic properties of spin excitation in multiferroics with a spinel structure: first principles calculation
(Taylor & Francis, 2019-06-04) Koç, H.; Palaz, S.; Mamedov, Amirullah M.; Özbay, Ekmel
In the present work, the structural, electronic and mechanical properties of LiVCuO4 and LiCu2O4 spinel type multiferroics have been investigated by means of first principles calculations. The spin polarized generalized gradient approximation has been used for modeling exchange-correlation effects. The structural optimization of these multiferroics compounds has been performed by using VASP-code, and the lattice parameters and magnetic moments have been calculated. From our calculation, it has been determined that the LiVCuO4 compound is a narrow band gap semiconductor, while the LiCu2O4 compound is metallic in nature. Considering the spin states from the electronic band structure and density of the state (DOS) of the LiVCuO4 compound, it has been identified that Eg=1.87 eV for spin up and Eg=0.37 eV for spin down. The second-order elastic constants have been calculated, and the other related quantities have also been estimated in the present work.
Open Access
Ferroelectric based fractal phononic crystals: wave propagation and band structure
(Taylor & Francis, 2020-04) Palaz, S.; Özer, Z.; Mamedov, Amirullah M.; Özbay, Ekmel
In this study, the band structure and transmission in multiferroic based Sierpinski carpet phononic crystal are investigated based on finite element simulation. In order to obtain the band structure of the phononic crystal (PnC), the Floquet periodicity conditions were applied to the sides of the unit cell. The square lattice PnC consists of various piezoelectric inclusion in a rubber matrix with square and circular cross section.
Open Access
Incommensurate phase transition and electronic properties of BaMnF4
(IOP, 2019) Palaz, S.; Şimşek, Ş.; Koç, H.; Babayeva, R.; Mamedov, Amirullah M.; Özbay, Ekmel
We present the ab initio study the electronic, mechanical and structural properties of BaMnF4. We duscuss the trends in the electronic and mechanical properties of BaMnF4 under pressure up to 80 GPa. BaMnF4 belongs to the family of BaMF4-type fluorides (M = Mn, Fe, Co, Ni, Mg, Zn) which share the same orthorhombic structure. The main focus of this study is to elaborate the changes brought about in the electronic and the structural properties by applied pressure. The calculated lattice parameters have been in agreement with the available experimental and theoretical value. Band gap of BaMnF4 in our calculation is about 2.0 eV, separating the empty upper-Hubbard t2g bands and occupied lower-Hubbard eg bands. The total and partial DOS corresponding to the electronic band structure are calculated. Comparative analysis of the results of these calculations shows that the band-gap energy of BaMnF4 decreases with increasing pressure and has a minima value at a critical pressure (appr. 65 GPa), after which it increases again. Some fundamental physical parameters such as elastic constants, bulk modulus, Poisson’s ratio, sound velocities and Debye temperature were calculated and interpreted, too.
Open Access
The mechanical, electronic and optical properties of Sn2P2S6 compound in different phases
(Taylor & Francis, 2021-12-01) Koc, H.; Palaz, S.; Simsek, S.; Mamedov, Amirullah M.; Ozbay, Ekmel
In present paper, the structural, mechanical, and electronic properties of the Sn2P2S6 compound under different pressures by the density functional methods in the generalized gradient approximation have been examined in the ferroelectric (Pc) and paraelectric (P2_1/c) phases. The lattice parameters, mechanical properties, electronic bands structures and partial density of states for both phases are presented and analyzed. The nonlinear optical properties and electro-optic effects of Sn2P2S6-Pc have been studied by the density functional theory in the local density approximation. Our structural estimation and some other results are in agreement with the available experimental and theoretical data. We present calculations of the frequency-dependent complex dielectric function (ω) and the second harmonic generation response coefficient χ(2) (−2ω, ω, ω) over a large frequency range. The electronic linear electro-optic susceptibility χ(2) (−ω, ω, 0) is also evaluated below the band gap. These results are based on a series of the LDA calculation. The results for χ(2) (−ω, ω, 0) are in agreement with the experiment below the band gap and those for χ(2) (−ω, ω, 0) are compared with the experimental data where available.
Open Access
Multiferroic based 2D phononic crystals: band structure and wave propagations
(Taylor & Francis, 2019-08) Palaz, S.; Özer, Z.; Ahundov, C.; Mamedov, Amirullah M.; Özbay, Ekmel
In the present work the acoustic band structure of a two-dimensional phononic crystal containing an organic ferroelectric (PVDF- polyvinylidene fluoride) and muliferroic material (LiVCuO4) were investigated by the plane-wave-expansion method. A two-dimensional PC with square lattices composed of LiVCuO4 cylindrical rods embedded in the PVDF matrix are 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, in which non-dimensional frequencies ωa/2πc (c-velocity of wave) were plotted versus the wavevector k along the Γ-X-M-Γ path in the square Brillouin zone show four stop bands in the frequency range 0.01–8.0 kHz. The ferroelectric properties of PVDF and unusual properties of multiferroic LiVCuO4 give us the ability to control the wave propagation through the PC in over a wide frequency range.
Open Access
Phononic band gap and wave propagation on multiferroic-based acoustic metamaterials
(Taylor & Francis, 2019) Palaz, S.; Oltulu, O.; Özer, Z.; Mamedov, Amirullah M.; Özbay, Ekmel
In the present work, the acoustic band structure of a two-dimensional (2D) phononic crystal containing a multiferroic and liquid were investigated by the plane-wave-expansion method. 2D PnC with triangular and honeycomb lattices composed of LiCu2O4 cylindrical rods embedded in the seawater 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, in which nondimensional frequencies ωa/2πc (c-velocity of wave) were plotted versus the wavevector k along the г-X-M-г path in the Brillouin zone show few stop bands in the frequency range between 10 and 110 kHz.
Open Access
Photonic band gap of multiferroic-dielectric materials in the IR region: FDTD method
(Taylor & Francis, 2019) Palaz, S.; Şimşek, Ş.; Mamedov, Amirullah M.; Özbay, Ekmel
In this report, we present an investigation of the optical properties and band structure calculations for the photonic structures based on the multiferroic materials- BaMnF4. We calculate the photonic bands and optical properties of BaMnF4/LiNbO3 based photonic crystal. We study the photonic band gap and optical properties of the photonic structures, numerically analyzed in the IR frequency region by using the FDTD method for various incidence angles, number of periods in the PC and the nature/geometry of the materials.
Open Access
SbSI based photonic crystal superlattices: band structure and optics
(IOP, 2015) Şimsek, Ş.; Koç, H.; Palaz, S.; Oltulu, O.; Mamedov, Amirullah M.; Özbay, Ekmel
In this work, we present an investigation of the optical properties and band structure calculations for the photonic crystal structures (PCs) based on one-dimensional (1D)-photonic crystal. Here we use 1D SbSI based layers in air background. We have theoretically calculated the photonic band structure and optical properties of SbSI based PC superlattices. In our simulation, we employed the finite-difference time domain (FDTD) technique and the plane wave expansion method (PWE), which implies the solution of Maxwell equations with centered finite-difference expressions for the space and time derivatives.
Open Access
Second harmonic generation in generalized ferroelectric superlattices
(Taylor & Francis, 2021-12-01) Ozer, Z.; Palaz, S.; Mamedov, Amirullah M.; Ozbay, Ekmel
The goal of the work presented in this investigation is to achieve the efficient parametric interaction of narrow beams (in particular second harmonic generation) using a nonlinear (ferroelectric-LiTaO3) photonic crystal tuned to self-collimation (nondiffractive) regimes. A numerical study of second harmonic generation (SHG) in one-dimensional nonlinear photonic crystals based on a full nonlinear system of equations, implemented by a combination of the method of finite elements and fixed-point iterations, is reported. This model is derived from a nonlinear system of Maxwell’s equations that partly overcomes the known shortcoming of some existing models that rely on the undepleted pump approximation. We derive a general solution of SHG in one-dimensional nonlinear photonic crystals structures. Numerical simulations also show that the conversion efficiency of SHG can be significantly enhanced when the frequencies of the fundamental wave are located at the photonic band edges or are assigned to the designed defect states.
Open Access
Slater insulator phase of X2 (X = Na, Li)IrO3: first principles calculation
(Taylor & Francis, 2021-12-01) Koc, H.; Palaz, S.; Mamedov, Amirullah M.; Ozbay, Ekmel
In the present work, the structural, electronic and mechanical properties of Na2IrO3 and Li2IrO3 have been investigated by means of first principles calculations. The spin polarized generalized gradient approximation has been used for modeling exchange-correlation effects. The structural optimization of these compounds has been performed by using VASP-code, and the lattice parameters and magnetic moments have been calculated. From our calculation, it has been determined that X2IrO3 (X = Na, Li) compounds for both spin up and spin down states are indirect wide gap semiconductor in nature. Considering the spin states from the electronic band structure and density of the state (DOS) of the Na (Li)2IrO3 compounds, it has been identified that Eg=1.824 (2.315) eV for spin up and Eg=1.558 (2.019) eV for spin down. The second-order elastic constants have been calculated, and the other related quantities have also been estimated in the present work.
Open Access
Two-dimensional phononic band structure of archimedean-logarithmic spiral-based slabs
(Taylor & Francis, 2019) Palaz, S.; Oltulu, O.; Mamedov, Amirullah M.; Özbay, Ekmel
We present band structure results for elastic waves in periodic composite materials consisting of a spiral scatterer shape embedded in a uniform silicon matrix. The material of the scatterer is tungsten as a high density material. The phononic band structure of two-dimensional solid phononic crystal is studied numerically by finite element method to obtain dispersion relations. We find full band gaps at relatively low frequencies for a low filling ratio. Due to spatial inhomogeneity, the unique structural characteristics of the spiral structure lead to localized modes. Hence, the proposed model geometry introduces a phononic crystal to cover a wide range of stopbands starting from low frequencies. The results could give a possibility to design effective filters for the low frequency range.