Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

Permanent URI for this collectionhttps://hdl.handle.net/11147/7148

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Author: search.filters.author.Cetin, ZebihScopus Q: search.filters.scopusQuartile.Q2

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Now showing 1 - 3 of 3
  • Article
    Dimensionality Effects in Anisotropic Single Layers TiSe5 and TiTe5: a Comparative Study of 2D Sheets and 1D Nanochains
    (IOP Publishing Ltd, 2026) Can Dogan, Kadir; Kutay Tamdogan, Omer; Bozkurt, Yagmur; Cetin, Zebih; Yagmurcukardes, Mehmet
    In this study, we present a comprehensive first-principles investigation of the structural, vibrational, and electronic properties of titanium pentachalcogenide structures in both two-dimensional (2D) and one-dimensional (1D) nanochain (NC) forms. Total energy and geometry optimizations reveal that the 2D TiX5 (X = Se, Te) structures exhibit in-plane anisotropy arising from the trigonal prismatic TiX3 units interconnected via the chalcogenide chains. Phonon band dispersions and elastic tensor elements confirm the dynamical and mechanical stability of the 2D layers, respectively. Electronically, while TiTe5 is a metal, TiSe5 possesses direct band gap semiconducting behavior. In addition, free-standing 1D NC counterparts, which are sub-units of the 2D structures, are investigated by means of their stability. Three stable 1D NCs, namely TiTe5-NC, TiSe7-NC, and TiTe7-NC, are found to be composed of edge-sharing TiX6-like units with either five- or seven-fold coordination. The dynamically stable 1D NCs are shown to be semiconductors with relatively larger band gaps as compared to 2D layers. Predicted Raman spectra reveal clear signatures of vibrational mode evaluations as a result of quantum confinement from the 2D layer to the 1D NC. Moreover, finite-temperature ab-initio quantum molecular dynamics simulations at 300 K confirm the thermal stability of both the 2D TiX5 layers and 1D NC derivatives, showing that the Ti-based systems retain their structural integrity under ambient conditions and are feasible candidates for experimental synthesis. Our findings highlight the formation of stable semiconducting 1D NCs of Ti-pentachalcogenides from their 2D counterparts.
  • Article
    Textile With Diamond Weave for Heat Insulation
    (AIP Publishing, 2025) Cetin, Zebih; Sozuer, Huseyin Sami
    In this work, we report the transmission properties of a woven fabric that has the symmetry of the diamond lattice. Numerical simulations we performed using the Finite Difference Time Domain method show that the transmission of infrared radiation from the human body can be reduced by as much as 50% owing to the photonic bandgap of the diamond lattice. The weaving pattern we propose is novel and can be readily implemented with the current technology. Although we consider the use of the weaving pattern for use as textiles, the same approach can be used in a variety of heat-shielding applications.
  • Article
    Citation - Scopus: 1
    Magnetism in Twisted Triangular Bilayer Graphene Quantum Dots
    (Amer Physical Soc, 2025) Mirzakhani, Mohammad; Cetin, Zebih; Yagmurcukardes, Mehmet; Park, Hee Chul; Peeters, Francois M.; da Costa, Diego R.
    Using a tight-binding model along with the mean-field Hubbard method, we investigate the effect of twisting angle on the magnetic properties of twisted bilayer graphene (tBLG) quantum dots (QDs) with triangular shape and zigzag edges. We consider such QDs in two configurations: when their initial untwisted structure is a perfect AA- or AB-stacked BLG, referred to as AA- or AB-like dots. We find that AA-like dots exhibit an antiferromagnetic spin polarization for small twist angles, which transits to a ferromagnetic spin polarization beyond a critical twisting angle theta c. Our analysis shows that theta c decreases as the dot size increases, obeying a criterion, according to which once the maximum energy difference between electron and hole edge states (in the single-particle picture) is less than (U/gamma 0) t0, the spin-polarized energy levels are aligned ferromagnetically [U is the Hubbard parameter and gamma 0 (t0) the graphene intralayer (interlayer) hopping]. Unlike AA-like dots, AB-like dots exhibit finite magnetization for any twist angle. Furthermore, in the ferromagnetic polarization state, the ground net spin for both dot configurations agrees with the prediction from Lieb's theorem.