Physics / Fizik
Permanent URI for this collectionhttps://hdl.handle.net/11147/6
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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: 3Citation - Scopus: 3Stable Single Layer Structures of Aluminum Oxide: Vibrational and Electronic Characterization of Magnetic Phases(Elsevier, 2022) Özyurt, A. Kutay; Molavali, Deniz; Şahin, HasanThe structural, magnetic, vibrational and electronic properties of single layer aluminum oxide (AlO2) are investigated by performing state-of-the-art first-principles calculations. Total energy optimization and phonon calculations reveal that aluminum oxide forms a distorted octahedral structure (1T′-AlO2) in its single layer limit. It is also shown that surfaces of 1T′-AlO2 display magnetic behavior originating from the O atoms. While the ferromagnetic (FM) state is the most favorable magnetic order for 1T′-AlO2, transformation to a dynamically stable antiferromagnetic (AFM) state upon a slight distortion in the crystal structure is also possible. It is also shown that Raman activities (350–400 cm−1) obtained from the vibrational spectrum can be utilized to distinguish the possible magnetic phases of the crystal structure. Electronically, both FM and the AFM phases are semiconductors with an indirect band gap and they can form a type-III vdW heterojunction with graphene-like ultra-thin materials. Moreover, it is predicted that presence of oxygen defects that inevitably occur during synthesis and production do not alter the magnetic state, even at high vacancy density. Apparently, ultra-thin 1T′-AlO2 with its stable crystal structure, semiconducting nature and robust magnetic state is a quite promising material for nanoscale device applications.Article Citation - WoS: 5Citation - Scopus: 4Electromagnetically Induced Transparency and Absorption Cross-Over With a Four-Level Rydberg System(IOP Publishing, 2022) Oyun, Yağız; Çakır, Özgür; Sevinçli, SevilayElectromagnetically induced transparency (EIT) and absorption (EIA) are quantum coherence phenomena which result from the interference of excitation pathways. Combining these with Rydberg atoms have opened up many possibilities for various applications. We introduce a theoretical model to study Rydberg-EIT and Rydberg-EIA effects in cold Cs and Rb atomic ensembles in a four-level ladder type scheme taking into account van der Waals type interactions between the atoms. The proposed many-body method for analysis of such systems involves a self-consistent mean field approach and it produces results which display a very good agreement with recent experiments. Our calculations also successfully demonstrate experimentally observed EIT-EIA cross-over in the Rb case. Being able to simulate the interaction effects in such systems has significant importance, especially for controlling the optical response of these.Article Citation - WoS: 2Citation - Scopus: 2Magnetic Single-Layer Nanoribbons of Manganese Oxide: Edge- and Width-Dependent Electronic Properties(Royal Society of Chemistry, 2022) Sözen, Yiğit; Topkıran, Uğur; Şahin, HasanIn the present work, the structural, magnetic, and electronic properties of the two- and one-dimensional honeycomb structures of recently synthesized MnO [Zhang et al., Hexagonal metal oxide monolayers derived from the metal-gas interface, Nat. Mater., 2021, 20, 1073-1078] are investigated by using first-principles calculations. Our calculations show that the single-layer 2D MnO crystal has a degenerate antiferromagnetic (AFM) ground state and a relatively less favorable ferromagnetic (FM) state. In addition, the magnetic anisotropy calculations unveil that the easy-axis direction for magnetism originating from unpaired electron states in manganese atoms is normal to the crystal plane. Electronically, while the FM MnO is a direct semiconductor with a narrow bandgap, AFM phases display large indirect bandgap semiconducting behavior. Moreover, the calculations on nanoribbons of MnO reveal that zigzag-edged ribbons display metallic behaviors, whereas armchair-edged nanoribbons are semiconductors. Magnetically, for both zigzag- or armchair-edged nanoribbons, the AFM order perpendicular to the nanoribbon growth direction is found to be favorable over the other AFM and FM orders. Moreover, depending on the edge symmetry and ribbon width, forbidden bandgap values of nanoribbons display distinct family behaviors.Article Citation - WoS: 4Citation - Scopus: 4Light-Induced Modification of the Schottky Barrier Height in Graphene/Si Based Near-Infrared Photodiodes(Elsevier, 2022) Fidan, Mehmet; Dönmez, Gülçin; Yanılmaz, Alper; Ünverdi, Özhan; Çelebi, CemThe impact of light on the Schottky barrier height (SBH) in p-type graphene/n-type Si (p-Gr/n-Si) based near-infrared photodiodes is investigated. Hall effect and optoelectronic transport measurements carried out under illumination of 905 nm wavelength light showed that zero-bias SBH in such photodiodes can be effectively tuned in a range between 0.7 and 0.9 eV consistent with the variation in their open-circuit voltage. Shockley-Read-Hall model, which considers the charge recombination through mid-gap and interface states at the p-Gr/n-Si heterojunction, is used to explain the experimentally observed nonlinear dependence of SBH on the incident light. Light induced tunability of SBH at the graphene/semiconductor heterojunction is of great importance especially for the development of new generation optically driven devices in which graphene acts as a functioning element.Article Single Layer Res2h2: Stability, Raman Activity and Electronic Properties(Eskişehir Teknik Üniversitesi, 2018) Ünsal, Elif; Şahin, HasanIn this study, the structural, vibrational and electronic properties of the hydrogenated single layer of ReS2 are investigated byperforming the first principle calculations based on density functional theory. We found that the characteristic properties ofthe monolayer ReS2 can be manipulated upon the hydrogen functionalization. As the monolayer ReS2, the ReS2H2 hasdistorted 1T phase; however, the bonding in Re slab significantly varies with the hydrogenation. Our results demonstrate thatthe full-surface hydrogenation leads to an expansion in lattice and the Re4 tetramer-chains in the monolayer ReS2 areseparated into two dimers in the hydrogenated monolayer. It is calculated that the dynamically stable monolayer of ReS2H2has 26 Raman-active vibrational modes. Constant volume specific heat calculations are also performed and the resultsindicate that at high temperature, the monolayer ReS2 approaches to limit of 3R before the monolayer ReS2H2. By performingthe electronic band structure calculations, it is shown that when the ReS2 surface is fully hydrogenated, there occurs a directto indirect band gap transition and the semiconducting hydrogen-induced monolayer has a band gap of 0.74 eV.Article Citation - WoS: 12Citation - Scopus: 14Laser Assisted Synthesis of Anisotropic Metal Nanocrystals and Strong Light-Matter Coupling in Decahedral Bimetallic Nanocrystals(Royal Society of Chemistry, 2021) Mert Balcı, Fadime; Sarısözen, Sema; Polat, Nahit; Güvenç, Çetin Meriç; Karadeniz, Uğur; Tertemiz, Necip Ayhan; Balcı, SinanThe advances in colloid chemistry and nanofabrication allowed us to synthesize noble monometallic and bimetallic nanocrystals with tunable optical properties in the visible and near infrared region of the electromagnetic spectrum. In the strong coupling regime, surface plasmon polaritons (SPPs) of metal nanoparticles interact with excitons of quantum dots or organic dyes and plasmon-exciton hybrid states called plexcitons are formed. Until now, various shaped metal nanoparticles such as nanorods, core-shell nanoparticles, hollow nanoparticles, nanoprisms, nanodisks, nanorings, and nanobipyramids have been synthesized to generate plasmon-exciton mixed states. However, in order to boost plasmon-exciton interaction at nanoscale dimensions and expand the application of plexcitonic nanocrystals in a variety of fields such as solar cells, light emitting diodes, and nanolasers, new plexcitonic nanocrystals with outstanding optical and chemical properties remain a key goal and challenge. Here we report laser-assisted synthesis of decahedral shaped noble metal nanocrystals, tuning optical properties of the decahedral shaped nanocrystals by galvanic replacement reactions, colloidal synthesis of bimetallic decahedral shaped plexcitonic nanocrystals, and strong plasmon-plasmon interaction in bimetallic decahedral shaped noble metal nanocrystals near a metal film. We photochemically synthesize decahedral Ag nanoparticles from spherical silver nanoparticles by using a 488 nm laser. The laser assisted synthesis of silver nanoparticles yields decahedral (bicolored) and prism (monocolored) shaped silver nanocrystals. The decahedral shaped nanoparticles were selectively separated from prism shaped nanoparticles by centrifugation. The optical properties of decahedral nanocrystals were tuned by the galvanic replacement reaction between gold ions and silver atoms. Excitons of J-aggregate dyes and SPPs of decahedral bimetallic nanoparticles strongly couple and hence decahedral shaped plexcitonic nanoparticles are prepared. In addition, localized SPPs of decahedral shaped bimetallic nanocrystals interact strongly with the propagating SPPs of a flat silver film and hence new hybrid plasmonic modes (plasmonic nanocavities) are generated. The experimental results are further fully corroborated by theoretical calculations including decahedral shaped plexcitonic nanoparticles and decahedral nanoparticles coupled to flat metal films.Article Citation - WoS: 2Citation - Scopus: 2Room Temperature Emission From Single Defects in Wo3 Enhanced by Plasmonic Nanocrystals(American Institute of Physics, 2021) Özçeri, Elif; Polat, Nahit; Balcı, Sinan; Tarhan, EnverRoom temperature light emission from optically active defect centers in two-dimensional layered materials has attracted great interest in recent years owing to the critical applications in the field of quantum information technologies. Therefore, efficient generation, detection, characterization, and manipulation of spatially localized emission from the defect centers are of crucial importance. Here, we report localized, stable, and bright room temperature photoluminescence (PL) emission from defects in WO3. In particular, the experimentally observed polarized and power dependent PL emission shows single photon characteristics. In addition, density functional theory calculations indicate that the source of the emission is most probably oxygen vacancy defects in WO3. The PL emission obtained from the localized defect centers in WO3 at room temperature has been, further, enhanced more than 20 times by using plasmonic gold nanoparticles.Article Citation - WoS: 3Citation - Scopus: 4Lipid Bilayer on Wrinkled-Interfaced Graphene Field Effect Transistor(Elsevier Ltd., 2021) Özkendir İnanç, Dilce; Çelebi, Cem; Yıldız, Ümit HakanThis study describes lipid bilayer-based sensor interface on SiO2 encapsulated graphene field effect transistors (GFET). The SiO2 layer was utilized as a lipid compatible surface that drives bilayer formation. The two types of surface morphologies i) wrinkled morphology by thermal evaporation (TE) and ii) flat morphology by pulsed electron deposition (PED) were obtained. The sensing performance of wrinkled and flat interfaced-GFETs were investigated, pH sensitivity of wrinkled interfaced-GFETs were found to be ten fold larger than the flat ones. The enhanced sensitivity is attributed to thinning of the oxide layer by formation of wrinkles thereby facilitating electrostatic gating on graphene. We foresee that described wrinkled SiO2 interfaced-GFET holds promise as a cell membrane mimicking sensing platform for novel bioelectronic applications. © 2020Article Citation - WoS: 24Citation - Scopus: 24Defect Tolerant and Dimension Dependent Ferromagnetism in Mnse2(Royal Society of Chemistry, 2019) Eren, İsmail; İyikanat, Fadıl; Şahin, HasanBy performing density functional theory-based calculations, we investigate the structural, vibrational, electronic and magnetic properties of 2D monolayers, nanoribbons and quantum dots of MnSe2. Vibrational spectrum analysis reveals the dynamical stability of not only ferromagnetic but also antiferromagnetic phases of single layer MnSe2 crystal structures. Electronically, calculations show that 1T-MnSe2 is a ferromagnetic structure displaying metallic behavior. It is also found that the structure preserves its dynamical stability and metallic behavior even under the presence of high density Se vacancies. Moreover, it was predicted that, differing from the 2D MnSe2, metal-metal interaction driven reconstructions result in ferromagnetic-to-antiferromagnetic crossover in the ground state of nanoribbons and quantum dots. With its robust ferromagnetic metallic character in the 2D ultra-thin limit and dimension-dependent magnetic properties, MnSe2 is an important candidate for spintronic device applications.