WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7150
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Article Anisotropic Tunability of Vibrational Modes in Black Phosphorus Under Uniaxial Compressive/Tensile Strain(Wiley, 2023) Li, Hao; Kutlu, Tayfun; Carrascoso, Felix; Şahin, Hasan; Munuera, Carmen; Castellanos Gomez, AndresStrain engineering is a powerful strategy for tuning the optical, electrical, vibrational properties of 2D nanomaterials. In this work, a four-point bending apparatus is constructed to apply both compressive and tensile strain on 2D anisotropic black phosphorus flake. Further polarized Raman spectroscopy is used to study the vibrational modes of black phosphorus flakes under uniaxial strain applied along various crystalline orientations. Here, a strong anisotropic blue/redshift of A1g, B2g, and A2g modes is found under compressive/tensile strain, respectively. Interestingly, mode A1g exhibits the maximum/minimum shift while mode B2g and mode A2g present the minimum/maximum shift when the strain is applied along armchair/zigzag direction. Density functional theory calculations are carried out to investigate the anisotropic strain response mechanism, finding that the strain-induced regulation of the PP bond angle, bond length, and especially interlayer interaction has a giant influence on the Raman shift. A four-point bending apparatus is constructed to study the effect of uniaxial strain on the vibrational property of anisotropic black phosphorus. Particularly, strong anisotropy on the Raman blueshift/redshift rate upon compressive/tensile strain can be observed, which results from the strain-induced regulation of the bond angle, bond length, and interlayer interactions according to density functional theory calculation analysis.imageArticle 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: 110Citation - Scopus: 109Structural, Electronic and Phononic Properties of Ptse2: From Monolayer To Bulk(IOP Publishing Ltd., 2018) Kandemir, Ali; Akbalı, Barış; Kahraman, Z.; Badalov, S. V.; Özcan, Mehmet; İyikanat, Fadıl; Şahin, HasanThe layer dependent structural, electronic and vibrational properties of the 1T phase of two dimensional (2D) platinum diselenide are investigated by means of state-of-the-art first-principles calculations. The main findings of the study are: (i) monolayer platinum diselenide has a dynamically stable 2D octahedral structure with 1.66 eV indirect band gap, (ii) the semiconducting nature of 1T-PtSe2 monolayers remains unaffected even at high biaxial strains, (iii) top-to-top (AA) arrangement is found to be energetically the most favorable stacking of 1T-PtSe2 layers, (iv) the lattice constant (layer-layer distance) increases (decreases) with increasing number of layers, (v) while monolayer and bilayer 1T-PtSe2 are indirect semiconductors, bulk and few-layered 1T-PtSe2 are metals, (vi) Raman intensity and peak positions of the A1g and Eg modes are found to be highly dependent on the layer thickness of the material, hence; the number of layers of the material can be determined via Raman measurements.Article Citation - WoS: 12Citation - Scopus: 11Theoretical and Experimental Investigation of Conjugation of 1,6-Hexanedithiol on Mos2(IOP Publishing Ltd., 2018) Gül, Aytaç; Bacaksız, Cihan; Ünsal, Emre; Akbalı, Barış; Tomak, Aysel; Zareie, Hadi M.; Şahin, HasanWe report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated phonon bands reveal that the HDT molecules bind covalently to MoS2. Surface morphology of MoS2/HDT structure is changed upon conjugation of HDT on MoS2 and characterized by using Scanning Electron Microscope (SEM). Density Functional Theory (DFT) based calculations show that HOMO-LUMO band gap of HDT is altered after the conjugation and two-S binding (handle-like) configuration is energetically most favorable among three different structures. This study displays that the facile thiol functionalization process of MoS2 is promising strategy for obtaining solution processable MoS2.Article Citation - WoS: 14Citation - Scopus: 14Hydrogen-Induced Sp2-Sp3 Rehybridization in Epitaxial Silicene(American Physical Society, 2017) Solonenko, Dmytro; Dzhagan, Volodymyr; Cahangirov, Seymur; Bacaksız, Cihan; Şahin, Hasan; Zahn, Dietrich R. T.; Vogt, PatrickWe report on the hydrogenation of (3×3)/(4×4) silicene epitaxially grown on Ag(111) studied by in situ Raman spectroscopy and state-of-the-art ab initio calculations. Our results demonstrate that hydrogenation of (3×3)/(4×4) silicene leads to the formation of two different atomic structures which exhibit distinct spectral vibrational modes. Raman selection rules clearly show that the Si atoms undergo a rehybridization in both cases from a mixed sp2-sp3 to a dominating sp3 state increasing the distance between the two silicene sublattices. This results in a softening of the in-plane and a stiffening of the out-of-plane phonon modes. Nevertheless, hydrogenated epitaxial silicene retains a two-dimensional nature and hence can be considered as epitaxial silicane. The level of hydrogenation can be determined by the intensity ratio of the Raman modes with different symmetries.Article Citation - WoS: 2Citation - Scopus: 2The Effect of Thickness of Silver Thin Film on Structural and Optical Properties of Porous Silicon(World Scientific Publishing Co. Pte Ltd, 2017) Çetinel, A.; Özdoğan, M.; Utlu, G.; Artunç, N.; Şahin, G.; Tarhan, EnverIn this study, porous silicon (PS) samples were prepared on n-type silicon (100) wafers by electrochemical etching method, varying the current density from 20 to 100mA/cm2 and keeping constant HF concentration (10%) and etching time of 15min. Then, Ag thin films, which have 10, 50 and 100nm film thicknesses, were deposited on PS layers by using thermal evaporation to investigate the influence of Ag film thickness on structural and optical properties of PS. The structural and optical properties of PS and Ag deposited PS layers have been investigated by XRD, FE-SEM, Raman and photoluminescence (PL) spectroscopy. FE-SEM XRD and Raman analyzes indicate that average pore size and porosity of PS layers increase with the increasing current density. Further, Ag nanoparticles have embedded in pore channel. PL measurement reveals that higher porosity of PS would be better to form the Ag-PS nano-composite material leading to stronger PL band. The PL spectra of PS and Ag-PS samples indicate that PL bands show blue shift with increasing current density and film thickness. Consequently, it has been found that the structural and optical properties of PS depend on current density and Ag film thickness individually.Article Citation - WoS: 37Citation - Scopus: 362d Vibrational Properties of Epitaxial Silicene on Ag(111)(IOP Publishing Ltd., 2017) Solonenko, Dmytro; Gordan, Ovidiu D.; Le Lay, Guy; Şahin, Hasan; Cahangirov, Seymur; Zahn, Dietrich R. T.; Vogt, PatrickThe two-dimensional silicon allotrope, silicene, could spur the development of new and original concepts in Si-based nanotechnology. Up to now silicene can only be epitaxially synthesized on a supporting substrate such as Ag(111). Even though the structural and electronic properties of these epitaxial silicene layers have been intensively studied, very little is known about its vibrational characteristics. Here, we present a detailed study of epitaxial silicene on Ag(111) using in situ Raman spectroscopy, which is one of the most extensively employed experimental techniques to characterize 2D materials, such as graphene, transition metal dichalcogenides, and black phosphorous. The vibrational fingerprint of epitaxial silicene, in contrast to all previous interpretations, is characterized by three distinct phonon modes with A and E symmetries. Both, energies and symmetries of theses modes are confirmed by ab initio theory calculations. The temperature dependent spectral evolution of these modes demonstrates unique thermal properties of epitaxial silicene and a significant electron-phonon coupling. These results unambiguously support the purely two-dimensional character of epitaxial silicene up to about 300°C, whereupon a 2D-to-3D phase transition takes place. The detailed fingerprint of epitaxial silicene will allow us to identify it in different environments or to study its modifications.Article Citation - WoS: 79Citation - Scopus: 91Unusual Lattice Vibration Characteristics in Whiskers of the Pseudo-One Titanium Trisulfide Tis3(Nature Publishing Group, 2016) Wu, Kedi; Torun, Engin; Şahin, Hasan; Chen, Bin; Fan, Xi; Pant, Anupum; Wright, David Parsons; Aoki, Toshihiro; Peeters, François M.; Soignard, Emmanuel; Tongay, SefaattinTransition metal trichalcogenides form a class of layered materials with strong in-plane anisotropy. For example, titanium trisulfide (TiS3) whiskers are made out of weakly interacting TiS3 layers, where each layer is made of weakly interacting quasi-one-dimensional chains extending along the b axis. Here we establish the unusual vibrational properties of TiS3 both experimentally and theoretically. Unlike other two-dimensional systems, the Raman active peaks of TiS3 have only out-of-plane vibrational modes, and interestingly some of these vibrations involve unique rigid-chain vibrations and S-S molecular oscillations. High-pressure Raman studies further reveal that the Ag S-S S-S molecular mode has an unconventional negative pressure dependence, whereas other peaks stiffen as anticipated. Various vibrational modes are doubly degenerate at ambient pressure, but the degeneracy is lifted at high pressures. These results establish the unusual vibrational properties of TiS3 with strong in-plane anisotropy, and may have relevance to understanding of vibrational properties in other anisotropic two-dimensional material systems. © The Author(s) 2016.Article Citation - WoS: 10Citation - Scopus: 10Evolution of Sio2/Ge Multilayer Structure During High Temperature Annealing(Elsevier Ltd., 2010) Şahin, D.; Yıldız, İlker; Gençer İmer, Arife; Aygün, Gülnur; Slaoui, A.; Turan, RaşitUse of germanium as a storage medium combined with a high-k dielectric tunneling oxide is of interest for non-volatile memory applications. The device structure consists of a thin HfO2 tunneling oxide with a Ge layer either in the form of continuous layer or discrete nanocrystals and relatively thicker SiO2 layer functioning as a control oxide. In this work, we studied interface properties and formation kinetics in SiO2/Ge/HfO2(Ge) multilayer structure during deposition and annealing. This material structure was fabricated by magnetron sputtering and studied by depth profiling with XPS and by Raman spectroscopy. It was observed that Ge atoms penetrate into HfO2 layer during the deposition and segregate out with annealing. This is related to the low solubility of Ge in HfO2 which is observed in other oxides as well. Therefore, Ge out diffusion might be an advantage in forming well controlled floating gate on top of HfO2. In addition we observed the Ge oxidation at the interfaces, where HfSiOx formation is also detected. © 2009 Elsevier B.V. All rights reserved.Article Citation - WoS: 12Citation - Scopus: 12Ge Nanocrystals Embedded in Sio2 in Mos Based Radiation Sensors(Elsevier Ltd., 2010) Aktağ, Aliekber; Yılmaz, Ercan; Mogaddam, Nader A.P.; Aygün, Gülnur; Cantaş, Ayten; Turan, RaşitIn this work, the effects of gamma radiation on the Raman spectra of Ge nanocrystals embedded in SiO2 have been investigated. SiO2 films containing nanoparticles of Ge were grown using the r.f.-magnetron sputtering technique. Formation of Ge nanocrystals was observed after high temperature annealing in an inert atmosphere and confirmed by Raman measurements. The intensity of the Raman signal originating from Ge nanocrystals was found to decrease with increasing gamma radiation. The study also includes the gamma radiation effects on MOS structure with Ge nanocrystals embedded in SiO2. The gamma radiation effects from 500 up to 4000 Gray were investigated. Capacitance-voltage measurements were performed and analyzed. Oxide traps and interface trap charges were calculated. Results show that MOS structure with Ge nanocrystals embedded in SiO2 is a good candidate to be used in radiation sensors, especially at high radiation doses. © 2010 Elsevier B.V. All rights reserved.