Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Citation - WoS: 5Citation - Scopus: 5Comparison of Characteristic Properties of Al, Ga, and In-Doped Zno Thin Films Formed by Sol-Gel Method(Academic Press, 2021) Horzum, Şeyda; Bulduk, Emel; Şener, Deniz; Serin, TülayHerein, we examine the effect of doping with Indium (In), Gallium (Ga), and Aluminum (Al) (group III elements) on the structural, optical, and vibrational properties of ZnO thin films. The characteristic properties of the ZnO films prepared by the sol-gel dip-coating method are explored by utilizing X-ray diffraction, optical spectroscopy, and Raman scattering measurements. XRD analyzes exhibit that the crystallite size reduces upon doping by Ga and Al, while it increases with In, and all films have hexagonal wurtzite structure. Additionally, Raman measurements indicate that the dominant two peaks at around 104 and 445 cm(-1) are related to E(2)(low )and E-2(high) phonon modes of ZnO, respectively. The low-frequency mode (E-2(low)) is affected by dopant atoms, whereas the high-frequency mode (E-2(high)) of the wurtzite phase is not influenced by the dopant. Moreover, E-dop.atom phonon mode appears at low frequencies and the intensity ratio, I(E-dop.atom)/I(E(2)low), decreases as the ionic radius of dopant atoms increases. UV-Vis spectra reveal that the film transparency, optical band gap, Urbach energy, and refraction index can be effectively tuned by dopant atoms.Article Citation - WoS: 32Citation - Scopus: 33Variation of Structural and Optical Properties of Tio2 Films Prepared by Dc Magnetron Sputtering Method With Annealing Temperature(Elsevier Ltd., 2020) Gürakar, Sibel; Ot, Hakan; Horzum, Şeyda; Serin, TülayTiO2 thin films are deposited by direct current magnetron sputtering method on the silicon and quartz substrates. The effect of annealing temperature on the film properties are analysed by using X-ray diffraction (XRD), Raman scattering, atomic force microscopy (AFM), scanning electron microscopy (SEM) and optical spectroscopy measurements. Raman and XRD results reveal that the crystal structure of the TiO2 film is strongly affected by the annealing temperature. The crystal structure of the coated film is changed from amorphous to anatase structure after annealing at 500 degrees C. Anatase and rutile phases of TiO2 start to coexist after annealing at 800 degrees C. Rutile phases of TiO2 become dominant for film annealed at 900 degrees C. SEM and AFM images uncover that the morphology, grain size and surface roughness of TiO2 films vary with the annealing temperature. The optical band gap decreases from 3.35 to 2.90 eV as the phase transforms from amorphous to rutile.Article Citation - WoS: 7Citation - Scopus: 8Investigation of the Structural and Optical Properties of Copper-Titanium Oxide Thin Films Produced by Changing the Amount of Copper(Elsevier Ltd., 2019) Horzum, Şeyda; Gürakar, Sibel; Serin, TülayWe examine how the structural, morphological and optical properties of TiO2 thin films are changed with heavily copper (Cu) content. Variations in characteristic properties of the films with 0, 12.5, 25 and 50 wt% Cu contents, grown by sol-gel dip coating method, are observed by using X-ray diffraction (XRD), Raman scattering, atomic force microscopy, energy dispersive X-ray analysis and optical spectroscopy measurements. The XRD and Raman spectra indicate that pure TiO2 film forms in the anatase structure. At high Cu concentrations, XRD results also reveal the substitution of Ti with Cu and formation of extra compound Copper-Titanium oxide. Raman measurements also show that Cu is incorporated homogeneously into TiO2 matrix up to 12.5 wt% concentration and this uniformity is distorted at higher Cu contents. In addition, optical spectroscopy measurements show that the optical band gap energy decreases from 3.26 eV to 2.05 eV with increasing Cu concentration. Furthermore, it is observed that the refractive index values obtained by means of transmittance spectra at 550 nm wavelength; increases from 2.47 to 3.39 when the Cu concentration increases from 0 to 50 wt %.Article Citation - WoS: 50Citation - Scopus: 52Monitoring the Characteristic Properties of Ga-Doped Zno by Raman Spectroscopy and Atomic Scale Calculations(Elsevier, 2019) Horzum, Şeyda; İyikanat, Fadıl; Senger, Ramazan Tuğrul; Çelebi, Cem; Sbeta, Mohamed; Yıldız, Abdullah; Serin, TülayWe experimentally and theoretically study how the structural and vibrational properties of zinc oxide (ZnO) are modified upon Gallium (Ga) doping. The characteristics of Ga-doped ZnO thin films which are synthesized by sol-gel spin coating method on glass substrates are monitored by using X-ray diffraction (XRD) and Raman scattering measurements. For atomic-level understanding of the experimental findings state-of-the-art density functional theory (DFT) based calculations are also performed. DFT calculations reveal that both the substitution and adsorption of Ga atoms in ZnO are energetically possible and substitutional doping in ZnO is the most favourable scenario. XRD measurements show that all the films are in wurtzite structure and the crystallite size of the films decreases with increasing Ga doping. In addition, Raman analysis show that strong vibrational modes at about 100 and 441 cm(-1) are associated with E-2(low) and E-2(high) phonon branches of ZnO, respectively. While the frequency of the E-2(low) mode downshifts with increasing Ga concentration, the E-2(high) phonon mode is not affected by the Ga doping. Furthermore, E-Ga phonon branch, stemming from the substituted Ga atoms, emerges at low frequencies. It is also seen that the Raman intensity of the E-G(a) peak linearly increases with increasing Ga concentration. Experimental results on the vibrational properties are in good agreement with the ab initio phonon calculations. (C) 2018 Elsevier B.V. All rights reserved.Article Citation - WoS: 15Citation - Scopus: 18Computing Optical Properties of Ultra-Thin Crystals(John Wiley and Sons Inc., 2016) Şahin, Hasan; Torun, Engin; Bacaksız, Cihan; Horzum, Şeyda; Kang, J.; Senger, Ramazan Tuğrul; Peeters, François M.An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2 , MoSe2 , WS2 , WSe2 , h-AlN, h-BN, fluorographene, and graphane). Ultra-thin crystals are atomically thick-layered crystals that have unique properties which differ from their 3D counterpart. Because of the difficulties in the synthesis of few-atom-thick crystal structures, which are thought to be the main building blocks of future nanotechnology, reliable theoretical predictions of their electronic, vibrational, and optical properties are of great importance. Recent studies revealed the reliable predictive power of existing theoretical approaches based on density functional theory.Article Citation - WoS: 149Citation - Scopus: 149Hexagonal Aln: Dimensional-Crossover Band-Gap Transition(American Physical Society, 2015) Bacaksız, Cihan; Şahin, Hasan; Özaydın, H. Duygu; Horzum, Şeyda; Senger, Ramazan Tugrul; Peeters, François M.Motivated by a recent experiment that reported the successful synthesis of hexagonal (h) AlN [Tsipas, Appl. Phys. Lett. 103, 251605 (2013)APPLAB0003-695110.1063/1.4851239], we investigate structural, electronic, and vibrational properties of bulk, bilayer, and monolayer structures of h-AlN by using first-principles calculations. We show that the hexagonal phase of the bulk h-AlN is a stable direct-band-gap semiconductor. The calculated phonon spectrum displays a rigid-layer shear mode at 274 cm-1 and an Eg mode at 703 cm-1, which are observable by Raman measurements. In addition, single-layer h-AlN is an indirect-band-gap semiconductor with a nonmagnetic ground state. For the bilayer structure, AA′-type stacking is found to be the most favorable one, and interlayer interaction is strong. While N-layered h-AlN is an indirect-band-gap semiconductor for N=1-9, we predict that thicker structures (N≥10) have a direct band gap at the Γ point. The number-of-layer-dependent band-gap transitions in h-AlN is interesting in that it is significantly different from the indirect-to-direct crossover obtained in the transition-metal dichalcogenides.Article Citation - WoS: 35Citation - Scopus: 33Portlandite Crystal: Bulk, Bilayer, and Monolayer Structures(American Physical Society, 2015) Aierken, Y.; Şahin, Hasan; İyikanat, Fadıl; Horzum, Şeyda; Süslü, A.; Chen, B.; Senger, Ramazan Tugrul; Tongay, S.; Peeters, François M.Ca(OH)2 crystals, well known as portlandite, are grown in layered form, and we found that they can be exfoliated on different substrates. We performed first principles calculations to investigate the structural, electronic, vibrational, and mechanical properties of bulk, bilayer, and monolayer structures of this material. Different from other lamellar structures such as graphite and transition-metal dichalcogenides, intralayer bonding in Ca(OH)2 is mainly ionic, while the interlayer interaction remains a weak dispersion-type force. Unlike well-known transition-metal dichalcogenides that exhibit an indirect-to-direct band gap crossover when going from bulk to a single layer, Ca(OH)2 is a direct band gap semiconductor independent of the number layers. The in-plane Young's modulus and the in-plane shear modulus of monolayer Ca(OH)2 are predicted to be quite low while the in-plane Poisson ratio is larger in comparison to those in the monolayer of ionic crystal BN. We measured the Raman spectrum of bulk Ca(OH)2 and identified the high-frequency OH stretching mode A1g at 3620cm-1. In this study, bilayer and monolayer portlandite [Ca(OH)2] are predicted to be stable and their characteristics are analyzed in detail. Our results can guide further research on ultrathin hydroxites.Article Citation - WoS: 40Citation - Scopus: 40Nitrogenated, Phosphorated and Arsenicated Monolayer Holey Graphenes(Royal Society of Chemistry, 2015) Yağmurcukardeş, Mehmet; Horzum, Şeyda; Torun, Engin; Peeters, François M.; Senger, Ramazan TuğrulMotivated by a recent experiment that reported the synthesis of a new 2D material nitrogenated holey graphene (C2N) [Mahmood et al., Nat. Commun., 2015, 6, 6486], the electronic, magnetic, and mechanical properties of nitrogenated (C2N), phosphorated (C2P) and arsenicated (C2As) monolayer holey graphene structures are investigated using first-principles calculations. Our total energy calculations indicate that, similar to the C2N monolayer, the formation of the other two holey structures are also energetically feasible. Calculated cohesive energies for each monolayer show a decreasing trend going from the C2N to C2As structure. Remarkably, all the holey monolayers considered are direct band gap semiconductors. Regarding the mechanical properties (in-plane stiffness and Poisson ratio), we find that C2N has the highest in-plane stiffness and the largest Poisson ratio among the three monolayers. In addition, our calculations reveal that for the C2N, C2P and C2As monolayers, creation of N and P defects changes the semiconducting behavior to a metallic ground state while the inclusion of double H impurities in all holey structures results in magnetic ground states. As an alternative to the experimentally synthesized C2N, C2P and C2As are mechanically stable and flexible semiconductors which are important for potential applications in optoelectronics.