Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

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

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Department: search.filters.department.İzmir Institute of Technology. PhysicsSubject: search.filters.subject.DFT calculations

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  • Article
    Citation - WoS: 20
    Citation - Scopus: 23
    Kagome-Like Silicene: a Novel Exotic Form of Two-Dimensional Epitaxial Silicon
    (Elsevier, 2020) Sassa, Yasmine; Johansson, Fredrik O. L.; Lindblad, Andreas; Yazdi, Milad G.; Simonov, Konstantin; Weissenrieder, Jonas; Le Lay, Guy; İyikanat, Fadıl; Şahin, Hasan
    Since the discovery of graphene, intensive efforts have been made in search of novel two-dimensional (2D) materials. Decreasing the materials dimensionality to their ultimate thinness is a promising route to unveil new physical phenomena, and potentially improve the performance of devices. Among recent 2D materials, analogs of graphene, the group IV elements have attracted much attention for their unexpected and tunable physical properties. Depending on the growth conditions and substrates, several structures of silicene, germanene, and stanene can be formed. Here, we report the synthesis of a Kagome-like lattice of silicene on aluminum (1 1 1) substrates. We provide evidence of such an exotic 2D Si allotrope through scanning tunneling microscopy (STM) observations, high-resolution core-level (CL) and angle-resolved photoelectron spectroscopy (ARPES) measurements, along with Density Functional Theory calculations.
  • Article
    Citation - WoS: 6
    Citation - Scopus: 6
    Experimental and Density Functional Theory Study on Humidity Sensing Properties of Copper Phthalocyanine (cupc)
    (IOP Publishing, 2019) Farzaneh, Amir; Esrafili, Mehdi D.; Okur, Salih
    The quartz crystal microbalance (QCM) technique was applied to investigate humidity sensing properties of a copper phthalocyanine (CuPc) thin film prepared by drop cast method. The humidity adsorption and desorption kinetics of (CuPc) thin film was evaluated. The QCM and electrical measurements results showed that humidity sensing properties of CuPc is very sensitive to humidity changes and reversible adsorption/desorption performance which is an indicative of a good humidity sensor even at room temperature. Reproducible experimental results indicated that CuPc thin films have an abundant potential for humidity sensing applications at ambient temperature. According to the first-principle density functional theory calculations, the promising humidity sensing properties of CuPc can be attributed to the considerable charge transfer from the water molecule into Cu atom.
  • Article
    Citation - WoS: 1
    Interaction of Ge With Single Layer Gaas: From Ge-Island Nucleation To Formation of Novel Stable Monolayers
    (Elsevier, 2020) Sözen, Yiğit; Eren, İsmail; Özen, Sercan; Yağmurcukardeş, Mehmet; Şahin, Hasan
    In this study, reactivity of single-layer GaAs against Ge atoms is studied by means of ab initio density functional theory calculations. Firstly, it is shown that Ge atoms interact quite strongly with the GaAs layer which allows the formation of Ge islands while it hinders the growth of detached germanene monolayers. It is also predicted that adsorption of Ge atoms on GaAs single-layer lead to formation of two novel stable single-layer crystal structures, namely 1H-GaGeAs and 1H(A)-GaGeAs. Both the total energy optimizations and the calculated vibrational spectra indicate the dynamical stability of both single layer structures. Moreover, although both structures crystallize in 1H phase, 1H-GaGeAs and 1H(A)-GaGeAs exhibit distinctive vibrational features in their Raman spectra which is quite important for distinguishing the structures. In contrast to the semiconducting nature of single-layer GaAs, both polytypes of GaGeAs exhibit metallic behavior confirmed by the electronic band dispersions. Furthermore, the linear-elastic constants, in-plane stiffness and Poisson ratio, reveal the ultrasoft nature of the GaAs and GaGeAs structures and the rigidity of GaAs is found to be slightly enhanced via Ge adsorption. With their stable, ultra-thin and metallic properties, predicted single-layer GaGeAs structures can be promising candidates for nanoscale electronic and mechanical applications.