Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Numerical Investigation of a Time-Modulated Lorentz-Dispersive Bianisotropic Metasurface for Nonreciprocal Transmission and Absorption(American Physical Society, 2025) Yilmaz, Hasan OnderThis work presents a numerical framework for modeling and solving time-modulated responses of complex bianisotropic metasurfaces. First, Lorentz-dispersive surfaces are implemented as impedance sheet models for the surface-wave-assisted transmissive bianisotropic metasurface, and the results are validated with prior analytical solutions. Next, a finite-difference time-domain (FDTD)-based numerical solution for time-modulated media is developed within the MIT Electromagnetic Equation Propagation (meep) framework using a sampled time-varying material function approach, and is verified through comparisons with circuit-based numerical methods, analytical solutions, and a reference FDTD solver. The results show good agreement in terms of harmonic frequencies, power levels, and phase-coherent transmission response. The method is then applied to simulate the time-modulated metasurface modeled with Lorentz-dispersive multilayers, demonstrating nonreciprocal transmission and unidirectional absorption under relatively low-frequency modulation. The proposed numerical approaches offer efficient and practical frameworks for modeling complex electromagnetic media in the time domain and for performing dynamic full-wave simulations, providing a viable solution path for analyzing functionalities such as isolation, unidirectional amplification, and absorption-phenomena that are difficult to achieve in time-invariant systems.Article Citation - WoS: 4Citation - Scopus: 4Indirect Exchange Interaction in Two-Dimensional Materials With Quartic Dispersion(American Physical Society, 2022) Canbolat, Ahmet Utku; Sevinçli, Haldun; Çakır, ÖzgürWe investigate the indirect magnetic exchange interaction between two magnetic moments in a two-dimensional semiconductor with quartic dispersion, featuring a singularity at the band edge. We obtain the Green's functions analytically to calculate the magnetic exchange interaction at zero temperature. We show that the singularity in the density of states (DOS) for quartic dispersion gives rise to an enhancement in the amplitude of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction as the Fermi energy is swept toward the band edge. Furthermore, a region of finite exchange interaction arises, with a range increasing as the Fermi energy approaches the band edge. The results lay the possibility of an electrical/chemical control over the exchange interactions.Article Citation - WoS: 14Citation - Scopus: 17Enhancement of Thermoelectric Efficiency of T-Hfse2 Via Nanostructuring(American Physical Society, 2021) Ünsal, Elif; Senger, Ramazan Tuğrul; Sevinçli, HaldunIn this work, ab initio calculations based on density functional theory and the Landauer formalism are carried out to investigate ballistic thermoelectric properties of T-HfSe2 nanoribbons (NRs). The zigzag-edged NRs are metallic, and they are not included in this study. The armchair NRs possess two types of edge symmetries depending on the number of atoms present in a row; odd-numbered NRs have mirror symmetry, whereas the even-numbered NRs have glide reflection symmetry. The armchair-edged NRs are dynamically stable and show semiconducting properties with varying band gap values in the infrared and visible regions. Detailed transport analyses show that the n-type Seebeck coefficient and the power factor differ because of the structural symmetry, whereas the p-type thermoelectric coefficients are not significantly influenced. It is shown that the phonon thermal conductance is reduced to a third of its two-dimensional value via nanostructuring. The p-type Seebeck coefficient and the power factor for T-phase HfSe(2 )are enhanced in NRs. We report that the p-type ZT value of HfSe2 NRs at 300 and 800 K are enhanced by factors of 4 and 3, respectively.Article Citation - WoS: 21Citation - Scopus: 21Prediction of Monoclinic Single-Layer Janus Ga2tex (x = S and Se): Strong In-Plane Anisotropy(American Physical Society, 2021) Yağmurcukardeş, Mehmet; Moğulkoç, Yeşim; Akgenç, Berna; Moğulkoç Aybey; Peeters, François M.By using density functional theory (DFT) based first-principles calculations, electronic, vibrational, piezo-electric, and optical properties of monoclinic Janus single-layer Ga2TeX (X = S or Se) are investigated. The dynamical, mechanical, and thermal stability of the proposed Janus single layers are verified by means of phonon bands, stiffness tensor, and quantum molecular dynamics simulations. The calculated vibrational spectrum reveals the either pure or coupled optical phonon branches arising from Ga-Te and Ga-X atoms. In addition to the in-plane anisotropy, single-layer Janus Ga2TeX exhibits additional out-of-plane asymmetry, which leads to important consequences for its electronic and optical properties. Electronic band dispersions indicate the direct band-gap semiconducting nature of the constructed Janus structures with energy band gaps falling into visible spectrum. Moreover, while orientation-dependent linear-elastic properties of Janus single layers indicate their strong anisotropy, the calculated in-plane stiffness values reveal the ultrasoft nature of the structures. In addition, predicted piezoelectric coefficients show that while there is a strong in-plane anisotropy between piezoelectric constants along armchair (AC) and zigzag (ZZ) directions, there exists a tiny polarization along the out-of-plane direction as a result of the formation of Janus structure. The optical response to electromagnetic radiation has been also analyzed through density functional theory by considering the independent-particle approximation. Finally, the optical spectra of Janus Ga2TeX structures is investigated and it showed a shift from the ultraviolet region to the visible region. The fact that the spectrum is between these regions will allow it to be used in solar energy and many nanoelectronics applications. The predicted monoclinic single-layer Janus Ga2TeX are relevant for promising applications in optoelectronics, optical dichroism, and anisotropic nanoelasticity.Article Citation - WoS: 32Citation - Scopus: 33Ballistic Thermoelectric Transport Properties of Two-Dimensional Group Iii-Vi Monolayers(American Physical Society, 2021) Çınar, Mustafa Neşet; Özbal Sargın, Gözde; Sevim, Koray; Özdamar, Burak; Kurt, Gizem; Sevinçli, HaldunBallistic transport and thermoelectric properties of group III-VI compounds (XY: X = B, Al, Ga, In, Tl; Y = O, S, Se, Te, Po) are investigated based on first-principles calculations and Landauer formalism. This large family is composed of 25 compounds which stands out with their unique electronic band structures. Mexican hat shaped valence band, which exhibits quartic energy-momentum relation gives rise to a sharp peak in the density of states as well as a steplike electronic transmission spectrum near the valence band edge. The intriguing electronic band structure and transport properties motivate us to explore thermoelectric properties of group III-VI monolayers. We find that, in addition to the stepwise transmission at the band edge, flat bands, valley degeneracy, and band degeneracy are the factors that enhance thermoelectric efficiencies. For heavier compounds, better thermoelectric efficiencies are possible for both n-type and p-type carriers.Article Citation - WoS: 119Citation - Scopus: 119Janus Two-Dimensional Transition Metal Dichalcogenide Oxides: First-Principles Investigation of Wxo Monolayers With X = S, Se, and Te(American Physical Society, 2021) Varjovi, M. Jahangirzadeh; Yağmurcukardeş, Mehmet; Peeters, François M.; Durgun, EnginStructural symmetry breaking in two-dimensional materials can lead to superior physical properties and introduce an additional degree of piezoelectricity. In the present paper, we propose three structural phases (1H, 1T, and 1T') of Janus WXO (X = S, Se, and Te) monolayers and investigate their vibrational, thermal, elastic, piezoelectric, and electronic properties by using first-principles methods. Phonon spectra analysis reveals that while the 1H phase is dynamically stable, the 1T phase exhibits imaginary frequencies and transforms to the distorted 1T' phase. Ab initio molecular dynamics simulations confirm that 1H- and 1T'-WXO monolayers are thermally stable even at high temperatures without any significant structural deformations. Different from binary systems, additional Raman active modes appear upon the formation of Janus monolayers. Although the mechanical properties of 1H-WXO are found to be isotropic, they are orientation dependent for 1T'-WXO. It is also shown that 1H-WXO monolayers are indirect band-gap semiconductors and the band gap narrows down the chalcogen group. Except 1T'-WSO, 1T'-WXO monolayers have a narrow band gap correlated with the Peierls distortion. The effect of spin-orbit coupling on the band structure is also examined for both phases and the alteration in the band gap is estimated. The versatile mechanical and electronic properties of Janus WXO monolayers together with their large piezoelectric response imply that these systems are interesting for several nanoelectronic applications.Article Citation - WoS: 17Citation - Scopus: 18Origin of Anomalous Band-Gap Bowing in Two-Dimensional Tin-Lead Mixed Perovskite Alloys(American Physical Society, 2021) Gao, Qiang; Şahin, Hasan; Kang, Jun; Wei, Su-HuaiThe origin of the pronounced and composition-dependent band-gap bowing in Sn/Pb mixed perovskite alloys has been under debate for a long time. Previous studies reported conflicting results on whether the chemical or structural effect is the dominant mechanism. In this paper, the band-gap bowing effect and its possible origins in recently synthesized two-dimensional (2D) Cs2PbxSn1-xI2Cl2 alloys are investigated from first-principles calculations. In agreement with experiments, a large and composition-dependent bowing coefficient is observed. By analyzing the contribution from volume deformation, charge exchange, structural relaxation, and short-range order, it is found that the dominant mechanism causing the anomalous gap bowing is the structural relaxation-induced wave-function localization, forming isovalent-defect-like states, despite the negligible octahedral distortion and small lattice mismatch between the two end compounds. This is understood by the s-p repulsion-induced strong antibonding character of the valence-band maximum which leads to a large deformation potential, thus even a small atomic displacement can result in a large shift of the energy level. These results thus highlight the critical role of strong deformation potential and structural relaxation effect in unusual band evolution of 2D Sn/Pb perovskite alloys, and can be helpful to the modulation of their band gap for optoelectronic applications.Article Citation - WoS: 9Citation - Scopus: 9Graded-Index Optical Fiber Transverse-Spatial Entanglement(American Physical Society, 2020) Ekici, Çağın; Dinleyici, Mehmet SalihWe present a study of spontaneously arisen spatially entangled photon pairs via intermodal four-wave mixing in a graded-index multimode optical fiber. Unique dispersive features of the fiber allow spectral indistinguishability of two different phase-matched processes, producing entangled pairs of spatial qubits. The bases are realized as superpositions of orthogonal transverse fiber modes having opposite parities. In particular, we take into consideration the spectral properties of the processes by examining their joint spectral amplitudes. It is shown that illuminating graded-index optical fiber with different pump wavelengths has an impact upon efficiency parameters accordingly the degree of spatial entanglement and gives rise to photon pairs with various spectral purities. Photons with higher spectral purity enable desired single-photon based interactions to take place, whereas photons with lower spectral purity exhibit hybrid entanglement in frequency and transverse mode. We also discuss Wigner function formalism and parity-displacement-based realization to characterize spatial properties of the states, as well as to verify quantum entanglement through a violation of Clauser-Horne-Shimony-Holt inequality.Article Citation - WoS: 11Citation - Scopus: 12Prevalence of Oxygen Defects in an In-Plane Anisotropic Transition Metal Dichalcogenide(American Physical Society, 2020) Plumadore, Ryan; Boddison-Chouinard, Justin; Lopinski, Gregory; Modarresi, Mohsen; Potasz, Pawel; Luican-Mayer, Adina; Başkurt, Mehmet; Şahin, HasanAtomic scale defects in semiconductors enable their technological applications and realization of different quantum states. Using scanning tunneling microscopy and spectroscopy complemented by ab initio calculations we determine the nature of defects in the anisotropic van der Waals layered semiconductor ReS2. We demonstrate the in-plane anisotropy of the lattice by directly visualizing chains of rhenium atoms forming diamond-shaped clusters. Using scanning tunneling spectroscopy we measure the semiconducting gap in the density of states. We reveal the presence of lattice defects and by comparison of their topographic and spectroscopic signatures with ab initio calculations we determine their origin as oxygen atoms absorbed at lattice point defect sites. These results provide an atomic-scale view into the semiconducting transition metal dichalcogenides, paving the way toward understanding and engineering their properties.Article Citation - WoS: 3Citation - Scopus: 3Atomic Collapse in Disordered Graphene Quantum Dots(American Physical Society, 2020) Polat, Mustafa; Güçlü, Alev DevrimIn this paper, we numerically study a Coulomb impurity problem for interacting Dirac fermions restricted in disordered graphene quantum dots. In the presence of randomly distributed lattice defects and spatial potential fluctuations, the response of the critical coupling constant for atomic collapse is mainly investigated by local density of states calculations within the extended mean-field Hubbard model. We find that both types of disorder cause an amplification of the critical threshold. As a result, up to a 34% increase in the critical coupling constant is reported. This numerical result may explain why the Coulomb impurities remain subcritical in experiments, even if they are supercritical in theory. Our results also point to the possibility that atomic collapse can be observed in defect-rich samples such as Ar+ ion bombarded, He+ ion irradiated, and hydrogenated graphene.