Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
Browse
6 results
Search Results
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: 6Citation - Scopus: 7Interface-Dependent Phononic and Optical Properties of Geo/Moso Heterostructures(Royal Society of Chemistry, 2022) Yağmurcukardeş, Mehmet; Sözen, Yiğit; Başkurt, Mehmet; Peeters, François M.; Şahin, HasanThe interface-dependent electronic, vibrational, piezoelectric, and optical properties of van der Waals heterobilayers, formed by buckled GeO (b-GeO) and Janus MoSO structures, are investigated by means of first-principles calculations. The electronic band dispersions show that O/Ge and S/O interface formations result in a type-II band alignment with direct and indirect band gaps, respectively. In contrast, O/O and S/Ge interfaces give rise to the formation of a type-I band alignment with an indirect band gap. By considering the Bethe-Salpeter equation (BSE) on top of G0W0 approximation, it is shown that different interfaces can be distinguished from each other by means of the optical absorption spectra as a consequence of the band alignments. Additionally, the low-and high-frequency regimes of the Raman spectra are also different for each interface type. The alignment of the individual dipoles, which is interface-dependent, either weakens or strengthens the net dipole of the heterobilayers and results in tunable piezoelectric coefficients. The results indicate that the possible heterobilayers of b-GeO/MoSO asymmetric structures possess various electronic, optical, and piezoelectric properties arising from the different interface formations and can be distinguished by means of various spectroscopic techniques.Article Citation - WoS: 10Citation - Scopus: 11Single layer PbI2: Hydrogenation-driven reconstructions(Royal Society of Chemistry, 2016) Bacaksız, Cihan; Şahin, HasanBy performing density functional theory-based calculations, we investigate how a hydrogen atom interacts with the surfaces of monolayer PbI2 and how one- and two-side hydrogenation modifies its structural, electronic, and magnetic properties. Firstly, it was shown that the T-phase of single layer PbI2 is energetically more favorable than the H-phase. It is found that hydrogenation of its surfaces is possible through the adsorption of hydrogen on the iodine sites. While H atoms do not form a particular bonding-type at low concentration, by increasing the number of hydrogenated I-sites well-ordered hydrogen patterns are formed on the PbI2 matrix. In addition, we found that for one-side hydrogenation, the structure forms a (2 × 1) Jahn-Teller type distorted structure and the bandgap is dramatically reduced compared to hydrogen-free single layer PbI2. Moreover, in the case of full hydrogenation, the structure also possesses another (2 × 2) reconstruction with a reduction in the bandgap. The easily tunable electronic and structural properties of single layer PbI2 controlled by hydrogenation reveal its potential uses in nanoscale semiconducting device applications.Article Citation - WoS: 60Citation - Scopus: 64Improvement of Optical and Electrical Properties of Ito Thin Films by Electro-Annealing(Elsevier Ltd., 2015) Köseoğlu, Hasan; Türkoğlu, Fulya; Kurt, Metin; Yaman, Mutlu Devran; Akça, Fatime Gülşah; Aygün, Gülnur; Özyüzer, LütfiThe effect of electro-annealing in vacuum and air on the optical and electrical properties of ITO thin films grown by large area DC magnetron sputtering was investigated. Moreover, the performances of the electro-annealed ITO thin films in vacuum and air were compared. Electro-annealing was performed by applying 0.75, 1.00, 1.25 and 1.50 A constant ac current to the ITO thin films. It was observed that the crystallinity of the films was better for the ITO thin films electro-annealed in vacuum. The changes in sheet resistance of electro-annealed ITO thin films with applied currents were detailed. The transmittance of the films increased for both electro-annealing in vacuum and air. A correlation between band-gap and resistivity for all of the electro-annealed thin films was observed.Article Citation - WoS: 47Citation - Scopus: 49Simultaneous Identification of Spectral Properties and Sizes of Multiple Particles in Solution With Subnanometer Resolution(John Wiley and Sons Inc., 2016) Karabudak, Engin; Brookes, Emre; Lesnyak, Vladimir; Gaponik, Nikolai; Eychmüller, Alexander; Walter, Johannes; Segets, Doris; Peukert, Wolfgang; Wohlleben, Wendel; Demeler, Borries; Cölfen, HelmutWe report an unsurpassed solution characterization technique based on analytical ultracentrifugation, which demonstrates exceptional potential for resolving particle sizes in solution with sub-nm resolution. We achieve this improvement in resolution by simultaneously measuring UV/Vis spectra while hydrodynamically separating individual components in the mixture. By equipping an analytical ultracentrifuge with a novel multi-wavelength detector, we are adding a new spectral discovery dimension to traditional hydrodynamic characterization, and amplify the information obtained by orders of magnitude. We demonstrate the power of this technique by characterizing unpurified CdTe nanoparticle samples, avoiding tedious and often impossible purification and fractionation of nanoparticles into apparently monodisperse fractions. With this approach, we have for the first time identified the pure spectral properties and band-gap positions of discrete species present in the CdTe mixture.Article Citation - WoS: 72Citation - Scopus: 80Electronic, Phononic, and Thermoelectric Properties of Graphyne Sheets(American Institute of Physics, 2014) Sevinçli, Haldun; Sevik, CemElectron, phonon, and thermoelectric transport properties of α-, β-, γ-, and 6,6,12-graphyne sheets are compared and contrasted with those of graphene. α-, β-, and 6,6,12-graphynes, with direction dependent Dirac dispersions, have higher electronic transmittance than graphene. γ-graphyne also attains better electrical conduction than graphene except at its band gap. Vibrationally, graphene conducts heat much more efficiently than graphynes, a behavior beyond an atomic density differences explanation. Seebeck coefficients of the considered Dirac materials are similar but thermoelectric power factors decrease with increasing effective speeds of light. γ-graphyne yields the highest thermoelectric efficiency with a thermoelectric figure of merit as high as ZT-=-0.45, almost an order of magnitude higher than that of graphene.