Photonics / Fotonik
Permanent URI for this collectionhttps://hdl.handle.net/11147/2590
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Article Citation - WoS: 7Citation - Scopus: 8Hydrogenation-driven phase transition in single-layer TiSe2(IOP Publishing Ltd., 2017) İyikanat, Fadıl; Kandemir, Ali; Özaydın, H. Duygu; Senger, Ramazan Tuğrul; Şahin, HasanFirst-principles calculations based on density-functional theory are used to investigate the effects of hydrogenation on the structural, vibrational, thermal and electronic properties of the charge density wave (CDW) phase of single-layer TiSe2. It is found that hydrogenation of single-layer TiSe2 is possible through adsorption of a H atom on each Se site. Our total energy and phonon calculations reveal that a structural phase transition occurs from the CDW phase to the T d phase upon full hydrogenation. Fully hydrogenated TiSe2 presents a direct gap semiconducting behavior with a band gap of 119 meV. Full hydrogenation also leads to a significant decrease in the heat capacity of single-layer TiSe2.Article Citation - WoS: 7Citation - Scopus: 7Stable Ultra-Thin Cdte Crystal: a Robust Direct Gap Semiconductor(IOP Publishing Ltd., 2017) İyikanat, Fadıl; Akbalı, Barış; Kang, J.; Senger, Ramazan Tuğrul; Selamet, Yusuf; Şahin, HasanEmploying density functional theory based calculations, we investigate structural, vibrational and strain-dependent electronic properties of an ultra-thin CdTe crystal structure that can be derived from its bulk counterpart. It is found that this ultra-thin crystal has an 8-atom primitive unit cell with considerable surface reconstructions. Dynamic stability of the structure is predicted based on its calculated vibrational spectrum. Electronic band structure calculations reveal that both electrons and holes in single layer CdTe possess anisotropic in-plane masses and mobilities. Moreover, we show that the ultra-thin CdTe has some interesting electromechanical features, such as strain-dependent anisotropic variation of the band gap value, and its rapid increase under perpendicular compression. The direct band gap semiconducting nature of the ultra-thin CdTe crystal remains unchanged under all types of applied strain. With a robust and moderate direct band gap, single-layer CdTe is a promising material for nanoscale strain dependent device applications.Article Citation - WoS: 2Citation - Scopus: 2Structural Changes in a Schiff Base Molecular Assembly Initiated by Scanning Tunneling Microscopy Tip(IOP Publishing Ltd., 2016) Tomak, Aysel; Bacaksız, Cihan; Mendirek, Gizem; Şahin, Hasan; Hür, Deniz; Görgün, Kamuran; Senger, Ramazan Tuğrul; Birer, Özgür; Peeters, François M.; Zareie, Hadi M.We report the controlled self-organization and switching of newly designed Schiff base (E)-4-((4-(phenylethynyl) benzylidene) amino) benzenethiol (EPBB) molecules on a Au (111) surface at room temperature. Scanning tunneling microscopy and spectroscopy (STM/STS) were used to image and analyze the conformational changes of the EPBB molecules. The conformational change of the molecules was induced by using the STM tip while increasing the tunneling current. The switching of a domain or island of molecules was shown to be induced by the STM tip during scanning. Unambiguous fingerprints of the switching mechanism were observed via STM/STS measurements. Surface-enhanced Raman scattering was employed, to control and identify quantitatively the switching mechanism of molecules in a monolayer. Density functional theory calculations were also performed in order to understand the microscopic details of the switching mechanism. These calculations revealed that the molecular switching behavior stemmed from the strong interaction of the EPBB molecules with the STM tip. Our approach to controlling intermolecular mechanics provides a path towards the bottom-up assembly of more sophisticated molecular machines.Article Citation - WoS: 14Citation - Scopus: 14Quantum-Transport Characteristics of a P–n Junction on Single-Layer Tis3(John Wiley and Sons Inc., 2016) İyikanat, Fadıl; Senger, Ramazan Tuğrul; Peeters, François M.; Şahin, HasanBy using density functional theory and non-equilibrium Green′s function-based methods, we investigated the electronic and transport properties of a TiS3 monolayer p–n junction. We constructed a lateral p–n junction on a TiS3 monolayer using Li and F adatoms. An applied bias voltage caused significant variability in the electronic and transport properties of the TiS3 p–n junction. In addition, the spin-dependent current–voltage characteristics of the constructed TiS3 p–n junction were analyzed. Important device characteristics were found, such as negative differential resistance and rectifying diode behaviors for spin-polarized currents in the TiS3 p–n junction. These prominent conduction properties of the TiS3 p–n junction offer remarkable opportunities for the design of nanoelectronic devices based on a recently synthesized single-layered material.
