Physics / Fizik
Permanent URI for this collectionhttps://hdl.handle.net/11147/6
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Article Citation - WoS: 4Citation - Scopus: 4Photonic Crystal Textiles for Heat Insulation(American Institute of Physics, 2023) Çetin, Zebih; Tunçtürk, Yiğit; Sözüer, Hüseyin SamiIn this work, we have studied transmission properties of a photonic crystal-like structure that can be woven into fabrics. An interesting possibility emerges when considering the potential energy savings through suppression of radiation. It is a well-established fact that every object at a finite temperature inherently emits electromagnetic waves. Within the specific context of the human body, radiation takes on a crucial role as a fundamental mechanism governing heat dissipation. Thus, exploring ways to manage or mitigate this radiation could offer innovative approaches to optimize energy consumption and enhance heat regulation. It is well known that a photonic crystal can block electromagnetic energy with a specific frequency that is falling into a photonic bandgap. By using the numerical method called a finite-difference time domain, we have shown that this property of a periodic structure can be used to make textiles to save energy that is used to heat a human body environment. Numerical calculations have shown that by using the proposed photonic crystal structure, 53 % of electromagnetic energy is reflected. Although we mainly focused on textiles, it is worth highlighting that the same fundamental principle can be extended to diverse fields; for example, this structure can be integrated with construction materials and effectively function as a radiation heat insulator. © 2023 Author(s).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: 9Structural, Electronic, and Magnetic Properties of Point Defects in Polyaniline (c3n) and Graphene Monolayers: a Comparative Study(American Institute of Physics, 2020) Sevim, Koray; Sevinçli, HaldunThe newly synthesized two-dimensional polyaniline (C3N) is structurally similar to graphene and has interesting electronic, magnetic, optical, and thermal properties. Motivated by the fact that point defects in graphene give rise to interesting features, like magnetization in an all carbon material, we perform density functional theory calculations to investigate vacancy and Stone-Wales type point defects in monolayer C3N. We compare and contrast the structural, electronic, and magnetic properties of these defects with those in graphene. While monovacancies and Stone-Wales defects of C3N result in reconstructions similar to those in graphene, divacancies display dissimilar geometrical features. Different from graphene, all vacancies in C3N have metallic character because of altered stoichiometry; those that have low-coordinated atoms have finite magnetic moments. We further investigate the robustness of the reconstructed structures and the changes in the magnetic moments by applying tensile and compressive biaxial strain. We find that, with the advantage of finite bandgap, point defects in C3N are qualified as good candidates for future spintronics applications.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: 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.Article Citation - WoS: 105Citation - Scopus: 105Pentagonal Monolayer Crystals of Carbon, Boron Nitride, and Silver Azide(American Institute of Physics, 2015) Yağmurcukardeş, Mehmet; Şahin, Hasan; Kang, J.; Torun, E.; Peeters, François M.; Senger, Ramazan TuğrulIn this study, we present a theoretical investigation of structural, electronic, and mechanical properties of pentagonal monolayers of carbon (p-graphene), boron nitride (p-B2N4 and p-B4N2), and silver azide (p-AgN3) by performing state-of-the-art first principles calculations. Our total energy calculations suggest feasible formation of monolayer crystal structures composed entirely of pentagons. In addition, electronic band dispersion calculations indicate that while p-graphene and p-AgN3 are semiconductors with indirect bandgaps, p-BN structures display metallic behavior. We also investigate the mechanical properties (in-plane stiffness and the Poisson's ratio) of four different pentagonal structures under uniaxial strain. p-graphene is found to have the highest stiffness value and the corresponding Poisson's ratio is found to be negative. Similarly, p-B2N4 and p-B4N2 have negative Poisson's ratio values. On the other hand, the p-AgN3 has a large and positive Poisson's ratio. In dynamical stability tests based on calculated phonon spectra of these pentagonal monolayers, we find that only p-graphene and p-B2N4 are stable, but p-AgN3 and p-B4N2 are vulnerable against vibrational excitations.Article Citation - WoS: 69Citation - Scopus: 72Spintronic Properties of Zigzag-Edged Triangular Graphene Flakes(American Institute of Physics, 2010) Şahin, Hasan; Senger, Ramazan Tuğrul; Çıracı, SalimWe investigate quantum transport properties of triangular graphene flakes with zigzag edges by using first principles calculations. Triangular graphene flakes have large magnetic moments which vary with the number of hydrogen atoms terminating its edge atoms and scale with its size. Electronic transmission and current-voltage characteristics of these flakes, when contacted with metallic electrodes, reveal spin valve and remarkable rectification features. The transition from ferromagnetic to antiferromagnetic state under bias voltage can, however, terminate the spin polarizing effects for specific flakes. Geometry and size dependent transport properties of graphene flakes may be crucial for spintronic nanodevice applications. © 2010 American Institute of Physics.