Photonics / Fotonik
Permanent URI for this collectionhttps://hdl.handle.net/11147/2590
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Article Citation - WoS: 13Citation - Scopus: 13A Theoretical Investigation on the Physical Properties of Zirconium Trichalcogenides, Zrs3, Zrse3 and Zrte3 Monolayers(MDPI, 2022) Mortazavi, Bohayra; Shojaei, Fazel; Yağmurcukardeş, Mehmet; Makaremi, Meysam; Zhuang, XiaoyingIn a recent advance, zirconium triselenide (ZrSe3) nanosheets with anisotropic and strain-tunable excitonic response were experimentally fabricated. Motivated by the aforementioned progress, we conduct first-principle calculations to explore the structural, dynamic, Raman response, electronic, single-layer exfoliation energies, and mechanical features of the ZrX3 (X = S, Se, Te) monolayers. Acquired phonon dispersion relations reveal the dynamical stability of the ZrX3 (X = S, Se, Te) monolayers. In order to isolate single-layer crystals from bulk counterparts, exfoliation energies of 0.32, 0.37, and 0.4 J/m2 are predicted for the isolation of ZrS3, ZrSe3, and ZrTe3 monolayers, which are comparable to those of graphene. ZrS3 and ZrSe3 monolayers are found to be indirect gap semiconductors, with HSE06 band gaps of 1.93 and 1.01 eV, whereas the ZrTe3 monolayer yields a metallic character. It is shown that the ZrX3 nanosheets are relatively strong, but with highly anisotropic mechanical responses. This work provides a useful vision concerning the critical physical properties of ZrX3 (X = S, Se, Te) nanosheets.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: 21Citation - Scopus: 25Surface Functionalization of the Honeycomb Structure of Zinc Antimonide (znsb) Monolayer: a First-Principles Study(Elsevier, 2021) Bafekry, A.; Shahrokhi, M.; Yağmurcukardeş, Mehmet; Gogova, D.; Ghergherehchi, M.; Akgenç, B.; Feghhi, S. A. H.Structural, electronic, optic and vibrational properties of Zinc antimonide (ZnSb) monolayers and their func-tionalized (semi-fluorinated and fully chlorinated) structures are investigated by means of the first-principles calculations. The phonon dispersion curves reveal the presence of imaginary frequencies and thus confirm the dynamical instability of ZnSb monolayer. The calculated electronic band structure corroborates the metallic character with fully-relativistic calculations. Moreover, we analyze the surface functionalization effect on the structural, vibrational, and electronic properties of the pristine ZnSb monolayer. The semi-fluorinated and fully-chlorinated ZnSb monolayers are shown to be dynamically stable in contrast to the ZnSb monolayer. At the same time, semi-fluorination and fully-chlorination of ZnSb monolayer could effectively modulate the metallic elec-tronic properties of pristine ZnSb. In addition, a magnetic metal to a nonmagnetic semiconductor transition with a band gap of 1 eV is achieved via fluorination, whereas a transition to a semiconducting state with 1.4 eV band gap is found via chlorination of the ZnSb monolayer. According to the optical properties analysis, the first ab-sorption peaks of the fluorinated-and chlorinated-ZnSb monolayers along the in-plane polarization are placed in the infrared range of spectrum, while they are in the middle ultraviolet for the out-of-plane polarization. Interestingly, the optically anisotropic behavior of these novel monolayers along the in-plane polarizations is highly desirable for design of polarization-sensitive photodetectors. The results of the calculations clearly proved that the tunable electronic properties of the ZnSb monolayer can be realized by chemical functionalization for application in the next generation nanoelectronic devices.Article Citation - WoS: 20Citation - Scopus: 23Aluminum and Lithium Sulfur Batteries: a Review of Recent Progress and Future Directions(IOP Publishing, 2021) Akgenç, Berna; Sarıkurt, Sevil; Yağmurcukardeş, Mehmet; Ersan, FatihAdvanced materials with various micro-/nanostructures have attracted plenty of attention for decades in energy storage devices such as rechargeable batteries (ion- or sulfur based batteries) and supercapacitors. To improve the electrochemical performance of batteries, it is uttermost important to develop advanced electrode materials. Moreover, the cathode material is also important that it restricts the efficiency and practical application of aluminum-ion batteries. Among the potential cathode materials, sulfur has become an important candidate material for aluminum-ion batteries cause of its considerable specific capacity. Two-dimensional materials are currently potential candidates as electrodes from lab-scale experiments to possible pragmatic theoretical studies. In this review, the fundamental principles, historical progress, latest developments, and major problems in Li-S and Al-S batteries are reviewed. Finally, future directions in terms of the experimental and theoretical applications have prospected.Article Citation - WoS: 5Citation - Scopus: 6Toward Single-Layer Janus Crystals: Off-Balance Materials From Synthesis To Nanotechnology Applications(American Institute of Physics, 2021) Oğuztürk, H. Esra; Sözen, Yiğit; Akyol, Cansu; Özkendir İnanç, Dilce; Yıldız, Ümit Hakan; Şahin, HasanThe existence of things is directly related to their structural symmetry in a broad framework ranging from atoms to crystalline materials and from simple cells to complex organisms like humans. However, structural imbalance that occurs through natural or artificial means can provide completely different advantages. Molecules, crystals, and complex structures with structural imbalance constitute the family of Janus-type materials. This perspective provides a comprehensive discussion on the synthesis techniques of Janus-type materials, their use in fields from biology to materials science, and very recent studies on the family of 2D ultrathin graphene-like structures. We believe that, thanks to the advances in experimental techniques, the few-atom-sized off-balanced materials will be indispensable parts of the nanotechnology products that soon will be used in our daily lives.Article Citation - WoS: 3Citation - Scopus: 3Green Fabrication of Lanthanide-Doped Hydroxide-Based Phosphors: Y(oh)(3):eu3+ Nanoparticles for White Light Generation(Beilstein-Institut Zur Forderung der Chemischen Wissenschaften, 2019) Güner, Tuğrul; Kuş, Anılcan; Özcan, Mehmet; Genç, Aziz; Şahin, Hasan; Demir, Mustafa MuammerPhosphors can serve as color conversion layers to generate white light with varying optical features, including color rendering index (CRI), high correlated color temperature (CCT), and luminous efficacy. However, they are typically produced under harsh synthesis conditions such as high temperature, high pressure, and/or by employing a large amount of solvent. In this work, a facile, water-based, rapid method has been proposed to fabricate lanthanide-doped hydroxide-based phosphors. In this sense, sub-micrometer-sized Y(OH)(3):Eu3+ particles (as red phosphor) were synthesized in water at ambient conditions in <= 60 min reaction time. The doping ratio was controlled from 2.5-20 mol %. Additionally, first principle calculations were performed on Y(OH)(3):Eu3+ to understand the preferable doping scenario and its optoelectronic properties. As an application, these fabricated red phosphors were integrated into a PDMS/YAG:Ce3+ composite and used to generate white light. The resulting white light showed a remarkable improvement (approximate to 24%) in terms of luminous efficiency, a slight reduction of CCT (from 3900 to 3600 K), and an unchanged CRI (approximate to 60) as the amount of Y(OH)(3):Eu3+ was increased.Article Citation - WoS: 3Citation - Scopus: 4Soluble Cytotoxic Ruthenium(ii) Complexes With 2-Hydrazinopyridine(Pleiades Publishing, 2019) Soliman, A. A.; Attaby, F. A.; Alajrawy, O., I; Majeed, S. R.; Şahin, C.; Varlıklı, CananNew water soluble Ru(II) binary complex [Ru(C5H7N3)(X)(H2O)(2)] with 2-hydrazinopyridine and its ternary complexes with X = dichloride, oxalate, malonate or pyrophosphate ligands have been synthesized. The complexes have been characterized using elemental analyses, mass, IR, and UV-Vis. spectroscopies, cyclic voltammetry, magnetic susceptibility, and thermal analysis. The complexes are diamagnetic and the electronic spectral data showed that peaks are due to low spin octahedral Ru(II) complexes. The optimized structures of the complexes 1-4 indicate distorted octahedral geometry with bond angles around the ruthenium atom ranged from 80.44 degrees to 99.64 degrees. The values of the electronic energies (-635 to -1145 a.u.), the highest occupied molecular orbital energies (-0.181 to 0.073 a.u.) and lowest unoccupied molecular orbital energies (-0.056 to 0.167 a.u.) indicate the stability of the complexes. The complexes are polarized as indicated from the dipole moment values (9.39-14.27 Debye). The complexes have noticeable cytotoxicity with IC50 (mu M): 0.011-0.062 (HepG-2), 0.015-0.080 (MCF-7), 0.015-0.116 (HCT-116), and PC-3 (0.034-0.125).Article Citation - WoS: 28Citation - Scopus: 28Enhanced Stability of Single-Layer W-Gallenene Through Hydrogenation(American Chemical Society, 2018) Badalov, S. V.; Yağmurcukardeş, Mehmet; Peeters, François M.; Şahin, HasanUsing density functional theory based first-principles calculations, the effect of surface hydrogenation on the structural, dynamical, electronic, and mechanical properties of monolayer washboard-gallenene (w-gallenene) is investigated. It is found that the dynamically stabilized strained monolayer of w-gallenene has a metallic nonmagnetic ground state. Both one-sided and two-sided hydrogenations of w-gallenene suppress its dynamical instability even when unstrained. Unlike one-sided hydrogenated monolayer w-gallenene (os-w-gallenene), two-sided hydrogenated monolayer w-gallenene (ts-w-gallenene) possesses the same crystal structure as w-gallenene. Electronic band structure calculations reveal that monolayers of hydrogenated derivatives of w-gallenene exhibit also metallic nonmagnetic ground state. Moreover, the linear-elastic constants, in-plane stiffness and Poisson ratio, are enhanced by hydrogenation, which is opposite to the behavior of other hydrogenated monolayer crystals. Furthermore, monolayer w-gallenene and ts-w-gallenene remain dynamically stable up to relatively higher biaxial strains as compared to borophene. With its enhanced dynamical stability, robust metallic character, and enhanced linear-elastic properties, hydrogenated monolayer w-gallenene is a potential candidate for nanodevice applications as a two-dimensional flexible metal.Article Citation - WoS: 93Citation - Scopus: 95Single-Layer Janus-Type Platinum Dichalcogenides and Their Heterostructures(American Chemical Society, 2019) Kahraman, Zeynep; Kandemir, Ali; Yağmurcukardeş, Mehmet; Şahin, HasanUltrathin two-dimensional Janus-type platinum dichalcogenide crystals formed by two different atoms at opposite surfaces are investigated by performing state-of-the-art density functional theory calculations. First, it is shown that single-layer PtX2 structures (where X = S, Se, or Te) crystallize into the dynamically stable IT phase and are indirect band gap semiconductors. It is also found that the substitutional chalcogen doping in all PtX2 structures is favorable via replacement of surface atoms with a smaller chalcogen atom, and such a process leads to the formation of Janus-type platinum dichalcogenides (XPtY, where X and Y stand for S, Se, or Te) which are novel single-layer crystals. While all Janus structures are indirect band gap semiconductors as their binary analogues, their Raman spectra show distinctive features that stem from the broken out-of-plane symmetry. In addition, it is revealed that the construction of Janus crystals enhances the piezoelectric constants of PtX2 crystals significantly both in the in plane and in the out-of-plane directions. Moreover, it is shown that vertically stacked van der Waals heterostructures of binary and ternary (Janus) platinum dichalcogenides offer a wide range of electronic features by forming bilayer heterojunctions of type-I, type-II, and type-III, respectively. Our findings reveal that Janus-type ultrathin platinum dichalcogenide crystals are quite promising materials for optoelectronic device applications.Article Citation - WoS: 15Citation - Scopus: 15Vertical van der waals heterostructure of single layer InSe and SiGe(American Chemical Society, 2019) Eren, İsmail; Özen, Sercan; Sözen, Yiğit; Yağmurcukardeş, Mehmet; Şahin, HasanWe present a first-principles investigation on the stability, electronic structure, and mechanical response of ultrathin heterostructures composed of single layers of InSe and SiGe. First, by performing total energy optimization and phonon calculations, we show that single layers of InSe and SiGe can form dynamically stable heterostructures in 12 different stacking types. Valence and conduction band edges of the heterobilayers form a type-I heterojunction having a tiny band gap ranging between 0.09 and 0.48 eV. Calculations on elastic-stiffness tensor reveal that two mechanically soft single layers form a heterostructure which is stiffer than the constituent layers because of relatively strong interlayer interaction. Moreover, phonon analysis shows that the bilayer heterostructure has highly Raman active modes at 205.3 and 43.7 cm(-1), stemming from the out-of-plane interlayer mode and layer breathing mode, respectively. Our results show that, as a stable type-I heterojunction, ultrathin heterobilayer of InSe/SiGe holds promise for nanoscale device applications.
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