Physics / Fizik
Permanent URI for this collectionhttps://hdl.handle.net/11147/6
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Article Citation - WoS: 15Citation - Scopus: 15Ag and Au Atoms Intercalated in Bilayer Heterostructures of Transition Metal Dichalcogenides and Graphene(American Institute of Physics, 2014) İyikanat, Fadıl; Şahin, Hasan; Senger, Ramazan Tuğrul; Peeters, François M.The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of the diffusion characteristics of adatoms in van der Waals heterostructures holds promise for controllable growth of nanostructures. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.Article Citation - WoS: 8Citation - Scopus: 8Oxide Shell Layer Influences on Size-Dependent Tensile and Compressive Mechanical Properties of Iron Nanowires: a Reaxff Molecular Dynamics Study(American Institute of Physics, 2019) Aral, GürcanThe systematic understanding of an overall deformation mechanism of metallic iron (Fe) nanowires (NWs) with the pre-existing oxide shell layer (Fe/FexOy) under various mechanical loading conditions is of critical importance for their various applications. Herein, we perform molecular dynamics simulations using ReaxFF reactive interatomic potential to systematically investigate the effect of the pre-existing oxide shell layer on the underlying intrinsic mechanical deformation mechanism and related mechanical properties of metallic [001]-oriented Fe NWs under both uniaxial tension and compressive loading. Three different diameters of the NWs are investigated to elucidate the size effect. The Fe NWs with the preoxide shell layer possess unique and intriguing mechanical properties and deformation mechanisms. In particular, the oxide shell layer with the combined effect of the diameter and the applied uniaxial loading mode dictates the strength and the overall stress-strain behaviors of the NWs. Interestingly, the oxide-coated NWs clearly exhibit the diameter-dependent elastic deformation intrinsic mechanism and related properties as compared to the pristine counterparts. Specifically, the pre-existing oxide shell layer expedites the onset of tensile plasticity by drastically reducing the tensile yield stress and significantly decreasing the tensile elastic limit. Contrary to the tensile loading, the presence of the oxide shell layer reduces or increases the compressive yield stress of the pristine Fe NW with respect to its diameter. However, the pre-existing oxide shell layer leads to a significantly delayed onset of compressive plasticity, that is, a significant increase in the compressive elastic limit. Published under license by AIP Publishing.Article Citation - WoS: 8Citation - Scopus: 8Atomistic Insights on the Influence of Pre-Oxide Shell Layer and Size on the Compressive Mechanical Properties of Nickel Nanowires(American Institute of Physics, 2019) Aral, Gürcan; Islam, Md Mahbubul; Wang, Yun-Jiang; Ogata, Shigenobu; van Duin, Adri C. T.We used ReaxFF reactive molecular dynamics simulations to systematically investigate the effects of a pre-oxide shell layer on the mechanical properties of [001]-oriented nickel (Ni) nanowires (NWs) under the uniaxial compressive loading at room temperature. The pristine Ni NWs are considered as references to compare the mechanical properties of the oxide-coated NWs. We found that the mechanical properties of pristine Ni NWs under uniaxial compression are sensitive to both the diameter of the NWs and the pre-oxide shell layer, and their combined effect determines the overall stress and strain behaviors. The compressive strength of the pristine NWs decreases significantly with the decreasing diameter. We observe that the native defected amorphous pre-oxide shell layer with similar to 1.0 nm thickness leads to a lowering of the mechanical compressive resistivity of NWs and causes additional softening. Oxide-coated NWs exhibit a lesser size-dependent unique properties and a lower overall yield strength compared to their pristine counterparts. The reduction of the mechanical compressive yield stress and strain with the decreasing diameter is due to the substantial changes in plastic flow as well as correlated with the existence of the pre-oxide shell layer as compared to its pristine counterpart. Particularly, pre-oxide shell layers have pronounced effects on the initiation of initial dislocations to onset plastic deformation and consequently on the overall plastic response. Published under license by AIP Publishing.Article Citation - WoS: 4Citation - Scopus: 5Identifying Threading Dislocations in Cdte Films by Reciprocal Space Mapping and Defect Decoration Etching(American Institute of Physics, 2018) Polat, Mustafa; Bilgilisoy, Elif; Arı, Ozan; Öztürk, Orhan; Selamet, YusufWe study threading dislocation (TD) density of high-quality cadmium telluride (CdTe) layers grown on a (211) oriented GaAs substrate by molecular beam epitaxy. High-resolution X-ray diffraction was performed to calculate the density of screw-type TDs by measuring the broadening of the asymmetrical (511) Bragg reflections of CdTe epilayers. In addition, total TD densities were determined by the Everson-etching method and were compared with screw TDs. Our results show that the total TD densities in CdTe films were dominated by those with screw character. The screw component TDs are estimated to account for more than 90% of the total TD density. CdTe layers grown at a thickness of less than 3.0 μm typically exhibit the screw TD densities in the 106 cm-2 and 107 cm-2 range. It can be noted that as the nucleation temperature increases, i.e., ≥222 °C, both the area density of TDs with the screw component of the CdTe films and the total TD density are roughly four times larger than those of the epilayer grown at the nucleation temperature of 215 °C. Furthermore, we discuss the influence of the II/VI flux ratio on the density of threading dislocations. The contribution of screw TDs to the total TD density showed a significant decrease in roughly 30% in the case of a high II/VI flux ratio. We further examine the reciprocal space maps in the vicinity of the (422) reflections.Article Citation - WoS: 15Citation - Scopus: 17Effect of Substrate Rotation Speed and Off-Center Deposition on the Structural, Optical, and Electrical Properties of Azo Thin Films Fabricated by Dc Magnetron Sputtering(American Institute of Physics, 2018) Türkoğlu, Fulya; Aygün, Gülnur; Köseoğlu, Hasan; Özdemir, Mehtap; Zeybek, S.; Özyüzer, Lütfi; Özdemir, Mehtap; Özyüzer, Gülnur Aygün; Özyüzer, LütfiIn this study, aluminum-doped zinc oxide (AZO) thin films were deposited by DC magnetron sputtering at room temperature. The distance between the substrate and target axis, and substrate rotation speed were varied to get high quality AZO thin films. The influences of these deposition parameters on the structural, optical, and electrical properties of the fabricated films were investigated by X-ray diffraction (XRD), Raman spectroscopy, spectrophotometry, and four-point probe techniques. The overall analysis revealed that both sample position and substrate rotation speed are effective in changing the optical, structural, and electrical properties of the AZO thin films. We further observed that stress in the films can be significantly reduced by off-center deposition and rotating the sample holder during the deposition. An average transmittance above 85% in the visible range and a resistivity of 2.02 × 10-3Ω cm were obtained for the AZO films.Article Citation - WoS: 11Citation - Scopus: 11The Effect of Adsorbates on the Electrical Stability of Graphene Studied by Transient Photocurrent Spectroscopy(American Institute of Physics, 2018) Kalkan, Sırrı Batuhan; Aydın, H.; Özkendir, Dicle; Çelebi, CemAdsorbate induced variations in the electrical conductivity of graphene layers with two different types of charge carriers are investigated by using the Transient Photocurrent Spectroscopy (TPS) measurement technique. In-vacuum TPS measurements taken for a duration of 5 ks revealed that the adsorption/desorption of atmospheric adsorbates leads to more than a 110% increment and a 45% decrement in the conductivity of epitaxial graphene (n-type) and chemical vapor deposition graphene (p-type) layers on semi-insulating silicon carbide (SiC) substrates, respectively. The graphene layers on SiC are encapsulated and passivated with a thin SiO2 film grown by the Pulsed Electron Deposition method. The measurements conducted for short periods and a few cycles showed that the encapsulation process completely suppresses the time dependent conductivity instability of graphene independent of its charge carrier type. The obtained results are used to construct an experimental model for identifying adsorbate related conductivity variations in graphene and also in other 2D materials with an inherently high surface-to-volume ratio.Article Citation - WoS: 2Citation - Scopus: 2Surface Roughness Estimation of Mbe Grown Cdte/Gaas(211)b by Ex-Situ Spectroscopic Ellipsometry(American Institute of Physics, 2016) Karakaya, Merve; Bilgilisoy, Elif; Arı, Ozan; Selamet, YusufSpectroscopic ellipsometry (SE) ranging from 1.24 eV to 5.05 eV is used to obtain the film thickness and optical properties of high index (211) CdTe films. A three-layer optical model (oxide/CdTe/GaAs) was chosen for the ex-situ ellipsometric data analysis. Surface roughness cannot be determined by the optical model if oxide is included. We show that roughness can be accurately estimated, without any optical model, by utilizing the correlation between SE data (namely the imaginary part of the dielectric function, <ϵ2 > or phase angle, ψ) and atomic force microscopy (AFM) roughness. <ϵ2 > and ψ values at 3.31 eV, which corresponds to E1 critical transition energy of CdTe band structure, are chosen for the correlation since E1 gives higher resolution than the other critical transition energies. On the other hand, due to the anisotropic characteristic of (211) oriented CdTe surfaces, SE data (<ϵ2 > and ψ) shows varieties for different azimuthal angle measurements. For this reason, in order to estimate the surface roughness by considering these correlations, it is shown that SE measurements need to be taken at the same surface azimuthal angle. Estimating surface roughness in this manner is an accurate way to eliminate cumbersome surface roughness measurement by AFM.Article Citation - WoS: 88Citation - Scopus: 93Nanoribbons: From Fundamentals To State-Of Applications(American Institute of Physics, 2016) Yağmurcukardeş, Mehmet; Peeters, François M.; Senger, Ramazan Tuğrul; Şahin, HasanAtomically thin nanoribbons (NRs) have been at the forefront of materials science and nanoelectronics in recent years. State-of-the-art research on nanoscale materials has revealed that electronic, magnetic, phononic, and optical properties may differ dramatically when their one-dimensional forms are synthesized. The present article aims to review the recent advances in synthesis techniques and theoretical studies on NRs. The structure of the review is organized as follows: After a brief introduction to low dimensional materials, we review different experimental techniques for the synthesis of graphene nanoribbons (GNRs) with their advantages and disadvantages. In addition, theoretical investigations on width and edge-shape-dependent electronic and magnetic properties, functionalization effects, and quantum transport properties of GNRs are reviewed. We then devote time to the NRs of the transition metal dichalcogenides (TMDs) family. First, various synthesis techniques, E-field-tunable electronic and magnetic properties, and edge-dependent thermoelectric performance of NRs of MoS2 and WS2 are discussed. Then, strongly anisotropic properties, growth-dependent morphology, and the weakly width-dependent bandgap of ReS2 NRs are summarized. Next we discuss TMDs having a T-phase morphology such as TiSe2 and stable single layer NRs of mono-chalcogenides. Strong edge-type dependence on characteristics of GaS NRs, width-dependent Seebeck coefficient of SnSe NRs, and experimental analysis on the stability of ZnSe NRs are reviewed. We then focus on the most recently emerging NRs belonging to the class of transition metal trichalcogenides which provide ultra-high electron mobility and highly anisotropic quasi-1D properties. In addition, width-, edge-shape-, and functionalization-dependent electronic and mechanical properties of blackphosphorus, a monoatomic anisotropic material, and studies on NRs of group IV elements (silicene, germanene, and stanene) are reviewed. Observation of substrate-independent quantum well states, edge and width dependent properties, the topological phase of silicene NRs are reviewed. In addition, H2 concentration-dependent transport properties and anisotropic dielectric function of GeNRs and electric field and strain sensitive I-V characteristics of SnNRs are reviewed. We review both experimental and theoretical studies on the NRs of group III-V compounds. While defect and N-termination dependent conductance are highlighted for boron nitride NRs, aluminum nitride NRs are of importance due to their dangling bond, electric field, and strain dependent electronic and magnetic properties. Finally, superlattice structure of NRs of GaN/AlN, Si/Ge, G/BN, and MoS2/WS2 is reviewed.Article Citation - WoS: 32Citation - Scopus: 34Effects of Oxidation on Tensile Deformation of Iron Nanowires: Insights From Reactive Molecular Dynamics Simulations(American Institute of Physics, 2016) Aral, Gürcan; Wang, Yun-Jiang; Ogata, Shigenobu; Van Duin, Adri C.T.The influence of oxidation on the mechanical properties of nanostructured metals is rarely explored and remains poorly understood. To address this knowledge gap, in this work, we systematically investigate the mechanical properties and changes in the metallic iron (Fe) nanowires (NWs) under various atmospheric conditions of ambient dry O2 and in a vacuum. More specifically, we focus on the effect of oxide shell layer thickness over Fe NW surfaces at room temperature. We use molecular dynamics (MD) simulations with the variable charge ReaxFF force field potential model that dynamically handles charge variation among atoms as well as breaking and forming of the chemical bonds associated with the oxidation reaction. The ReaxFF potential model allows us to study large length scale mechanical atomistic deformation processes under the tensile strain deformation process, coupled with quantum mechanically accurate descriptions of chemical reactions. To study the influence of an oxide layer, three oxide shell layer thicknesses of ∼4.81 Å, ∼5.33 Å, and ∼6.57 Å are formed on the pure Fe NW free surfaces. It is observed that the increase in the oxide layer thickness on the Fe NW surface reduces both the yield stress and the critical strain. We further note that the tensile mechanical deformation behaviors of Fe NWs are dependent on the presence of surface oxidation, which lowers the onset of plastic deformation. Our MD simulations show that twinning is of significant importance in the mechanical behavior of the pure and oxide-coated Fe NWs; however, twin nucleation occurs at a lower strain level when Fe NWs are coated with thicker oxide layers. The increase in the oxide shell layer thickness also reduces the external stress required to initiate plastic deformation.Article Citation - WoS: 10Citation - Scopus: 10In-Situ Spectroscopic Ellipsometry and Structural Study of Hfo2 Thin Films Deposited by Radio Frequency Magnetron Sputtering(American Institute of Physics, 2014) Cantaş, Ayten; Özyüzer, Gülnur Aygün; Basa, Deepak KumarWe have investigated the reduction of unwanted interfacial SiO2 layer at HfO2/Si interface brought about by the deposition of thin Hf metal buffer layer on Si substrate prior to the deposition of HfO2 thin films for possible direct contact between HfO2 thin film and Si substrate, necessary for the future generation devices based on high-κ HfO2 gate dielectrics. Reactive rf magnetron sputtering system along with the attached in-situ spectroscopic ellipsometry (SE) was used to predeposit Hf metal buffer layer as well as to grow HfO2 thin films and also to undertake the in-situ characterization of the high-κ HfO2 thin films deposited on n-type 〈100〉 crystalline silicon substrate. The formation of the unwanted interfacial SiO2 layer and its reduction due to the predeposited Hf metal buffer layer as well as the depth profiling and also structure of HfO2 thin films were investigated by in-situ SE, Fourier Transform Infrared spectroscopy, and Grazing Incidence X-ray Diffraction. The study demonstrates that the predeposited Hf metal buffer layer has played a crucial role in eliminating the formation of unwanted interfacial layer and that the deposited high-κ HfO2 thin films are crystalline although they were deposited at room temperature.
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