Sevinçli, Haldun
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Sevincli, Haldun
Sevincli, Hâldun
Sevinçli, Hâldun
Sevinçli, H.
Sevincli, H
Sevincli, Hâldun
Sevinçli, Hâldun
Sevinçli, H.
Sevincli, H
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haldunsevincli@iyte.edu.tr
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03.09. Department of Materials Science and Engineering
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Former Staff
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Documents
48
Citations
2748
h-index
22
Documents
48
Citations
2657
Scholarly Output
33
Articles
24
Views / Downloads
80520/12302
Supervised MSc Theses
6
Supervised PhD Theses
3
WoS Citation Count
559
Scopus Citation Count
586
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0
Projects
7
WoS Citations per Publication
16.94
Scopus Citations per Publication
17.76
Open Access Source
24
Supervised Theses
9
| Journal | Count |
|---|---|
| Physical Review B | 7 |
| Journal of Applied Physics | 4 |
| Nano Letters | 2 |
| Applied Physics Letters | 2 |
| Physical Review Applied | 2 |
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33 results
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Now showing 1 - 10 of 33
Article Citation - WoS: 1Computational Investigation of Electronic, Vibrational, and Transport Properties of Silicon Phosphide Nanoribbons(American Physical Society, 2025) Sargin, G.Ö.; Jahangirzadeh Varjovi, M.J.; Ozbey, D.H.; Sevinçli, H.; Durgun, E.Two-dimensional (2D) silicon phosphide (SiP) has recently emerged as a promising semiconductor for electronic, optoelectronic, and thermoelectric applications due to its unique electronic and structural characteristics. One-dimensional (1D) nanoribbons (NRs) derived from 2D SiP offer a versatile and scalable platform for device miniaturization and performance enhancement in nanoelectronics. Motivated by their potential, we present a comprehensive first-principles investigation of the structural, electronic, dynamical, and electronic transport properties of SiP-NRs. Specifically, we focus on both bare and hydrogen-passivated armchair (A-NRs, HA-NRs) and zigzag (Z-NRs, HZ-NRs) configurations. Our results reveal that hydrogen passivation effectively suppresses edge reconstructions observed in bare SiP-NRs, thus dynamically stabilizing their structures. Analysis of electronic band structures demonstrates a clear width-dependent oscillatory behavior of the band gap in bare A-NRs, which diminishes significantly upon hydrogen termination. The width-scaled electronic conductance (G<inf>e</inf>ws) of HA-NRs exhibits a decreasing trend with increasing ribbon width, featuring distinct even-odd oscillations for n-type transport due to subband splitting effects. In contrast, HZ-NRs display notable deviations in p-type conductance from their 2D SiP counterpart, particularly at low temperatures (around 100 K), arising from residual localized edge states. However, with increasing width and temperature, transport behavior converges toward that of 2D SiP monolayers, indicating diminishing edge effects. Unlike their p-type counterparts, the n-type G<inf>e</inf> values of the largest HA-NRs and HZ-NRs increase with the square root of temperature, similar to the n-type conductance trend observed in 2D SiP. This behavior is attributed to the evolution of the electronic transmission function (τ(E)) from a steplike profile in narrow ribbons to an E1/2 dependence in wider ribbons, analogous to the 2D counterpart. These findings highlight the significant influence of width and edge termination on the transport characteristics of SiP-NRs and underline their potential as fundamental building blocks for high-performance nanoelectronic and thermoelectric quasi-1D devices. © 2025 authors. Published by the American Physical Society.Master Thesis Electronic, Vibtational and Transport Properties of Quasi-One Dimensional Transition Metal Dichalcogenide Structures(Izmir Institute of Technology, 2019) Ünsal, Elif; Sevinçli, Haldun; Senger, Ramazan TuğrulThermoelectric materials have attracted great attention due to their ability to convert heat to electrical energy. As the application area of nanoscience expands, nanostructuring becomes a promising approach for enhancing thermoelectric properties. In this thesis, thermoelectric enhancement of the T-phase HfSe2 structures is studied via nanostructuring. Density functional theory (DFT) based electronic and vibrational spectra of two-dimensional (2D) and quasi-one dimensional T-phase HfSe2 structures are investigated and their ballistic thermoelectric transport properties are examined within the Landauer formalism. For the first time, it was reported that the nanoribbons of the Tphase HfSe2 are dynamically stable and semiconducting materials. They have promising thermoelectric properties. We reported the enhancement of the p-type ZT parameter of T-phase HfSe2 at both low and high temperatures. Moreover, the width dependency of the thermoelectric properties of the nanoribbons are studied.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: 22Citation - Scopus: 24Quantum Interference in Thermoelectric Molecular Junctions: a Toy Model Perspective(American Institute of Physics, 2014) Nozaki, Daijiro; Avdoshenko, Stanislav M.; Sevinçli, Haldun; Cuniberti, GianaurelioQuantum interference (QI) phenomena between electronic states in molecular circuits offer a new opportunity to design new types of molecular devices such as molecular sensors, interferometers, and thermoelectric devices. Controlling the QI effect is a key challenge for such applications. For the development of single molecular devices employing QI effects, a systematic study of the relationship between electronic structure and the quantum interference is needed. In order to uncover the essential topological requirements for the appearance of QI effects and the relationship between the QI-affected line shape of the transmission spectra and the electronic structures, we consider a homogeneous toy model where all on-site energies are identical and model four types of molecular junctions due to their topological connectivities. We systematically analyze their transmission spectra, density of states, and thermoelectric properties. Even without the degree of freedom for on-site energies an asymmetric Fano peak could be realized in the homogeneous systems with the cyclic configuration. We also calculate the thermoelectric properties of the model systems with and without fluctuation of on-site energies. Even under the fluctuation of the on-site energies, the finite thermoelectrics are preserved for the Fano resonance, thus cyclic configuration is promising for thermoelectric applications. This result also suggests the possibility to detect the cyclic configuration in the homogeneous systems and the presence of the QI features from thermoelectric measurements.Article Citation - WoS: 5Citation - Scopus: 5Collapse of the Vacuum in Hexagonal Graphene Quantum Dots: a Comparative Study Between Tight-Binding and Mean-Field Hubbard Models(American Physical Society, 2020) Polat, Mustafa; Sevinçli, Haldun; Güçlü, Alev DevrimIn this paper, we perform a systematic study on the electronic, magnetic, and transport properties of the hexagonal graphene quantum dots (GQDs) with armchair edges in the presence of a charged impurity using two different configurations: (1) a central Coulomb potential and (2) a positively charged carbon vacancy. The tight-binding and the half-filled extended Hubbard models are numerically solved and compared with each other in order to reveal the effect of electron interactions and system sizes. Numerical results point out that off-site Coulomb repulsion leads to an increase in the critical coupling constant to beta(c) = 0.6 for a central Coulomb potential. This critical value of beta is found to be independent of the GQD size, reflecting its universality even in the presence of electron-electron interactions. In addition, a sudden downshift in the transmission peaks shows a clear signature of the transition from subcritical beta < beta(c) to the supercritical beta > beta(c) regime. On the other hand, for a positively charged vacancy, collapse of the lowest bound state occurs at beta(c) = 0.7 for the interacting case. Interestingly, the local magnetic moment, induced by a bare carbon vacancy, is totally quenched when the vacancy is subcritically charged, whereas the valley splittings in electron and hole channels continue to exist in both regimes.Master Thesis Quantum transport in nanostructured materials(Izmir Institute of Technology, 2017) Kurt, Gizem; Sevinçli, Haldun; Çakır, ÖzgürDue to the advances in the measurement and fabrication techniques at the nanoscale it is now possible to measure thermal transport across single molecule junctions[1], which makes it possible to consider nano-scale thermal devices. One of the building blocks for such thermal devices should be thermal switches. The aim of this study is to design a thermal switch, which is based on a single molecule junction and photoisomerism. We propose reversible photoisomerism as a key ingredient to build reversible thermal switches based on single molecule junctions. In this thesis, the thermal conductances of molecular junctions built by azobenzene and its derivatives are computed using density functional theory based tight binding method combined with atomistic Green’s functions. These molecules show photoisomeric behaviour by switching their three-dimensional structure when exposed to radiation. We investigate the effects of different linker groups as well as the details of the reservoirs. Carbon nanotubes are used as reservoirs, while generic reservoirs are also investigated to illuminate the effects of the reservoir details. We show that thermal conductance can be altered by switching the molecule from trans to cis configuration. The effect is robust under the change of the linkers that bind the molecules to the reservoirs and under the change of the particular molecular species.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.Master Thesis Investigation of Anharmonic Effects in Phonon Transport(Izmir Institute of Technology, 2018) Çınar, Mustafa Neşet; Sevinçli, Haldun; Çakır, ÖzgürPhonons are quantum mechanical particles corresponding to ionic vibrations. They are similar to electrons in a way that they interact with other particles and defects, and they are responsible for thermal conduction in insulators like electrons are responsible for electrical conduction in conductors. Most of the physical properties due to ionic vibrations can be determined by using harmonic approximation which consider phonons as independent quantum mechanical harmonic oscillators having quadratic potentials depending on the displacements of atoms in their equilbirium positions. However, there are some physical processes such as finite thermal conductivity and thermal expansion which cannot be explained with only harmonic phonons. To investigate these physical processes anharmonicity needs to be taken into account. Anharmonicity is related to the higher order terms in the interatomic potential and corresponds to phonon-phonon interactions. The strength of these interactions depends on the temperature which is related to the available thermal energy, or, the number of phonons given by the Bose-Einstein distribution. In this thesis, the effects of anharmonicity on quantum thermal transport are studied in nanoscale systems by using Green functions. Non-Equilibrium Green Functions (NEGF) method is a perturbative approach to study transport properties of both electronic and phononic systems. Anharmonic terms in interatomic potential are incorporated into NEGF method in the form of a self-energy which can be computed self-consistently. This approach provides high accuracy with high computational cost. As an alternative, mean field technique is computationally more feasible which allows to do calculations for larger systems. In this study, we investigate anharmonic transport properties of one-dimensional chains using NEGF method. Our calculations involve self-energies of third and fourth order anharmonic terms. In addition, mean field calculation for fourth order anharmonicity is performed for comparison.Article Citation - WoS: 41Citation - Scopus: 42Quartic Dispersion, Strong Singularity, Magnetic Instability, and Unique Thermoelectric Properties in Two-Dimensional Hexagonal Lattices of Group-Va Elements(American Chemical Society, 2017) Sevinçli, HaldunThe critical points and the corresponding singularities in the density of states of crystals were first classified by Van Hove with respect to their dimensionality and energy-momentum dispersions. Here, different from saddle-point Van Hove singularities, the occurrence of a continuum of critical points, which give rise to strong singularities in two-dimensional elemental hexagonal lattices, is shown using a minimal tight-binding formalism. The model predicts quartic energy-momentum dispersions despite quadratic or linear ones, which is also the origin of the strong singularity. Starting with this model and using first-principles density functional theory calculations, a family of novel two-dimensional materials that actually display such singularities are identified and their extraordinary features are investigated. The strong singularity gives rise to ferromagnetic instability with an inverse-square-root temperature dependence and the quartic dispersion is responsible for a steplike transmission spectrum, which is a characteristic feature of one-dimensional systems. Because of the abrupt change in transmission at the band edge, these materials have temperature-independent thermopower and enhanced thermoelectric efficiencies. Nitrogene has exceptionally high thermoelectric efficiencies at temperatures down to 50 K, which could make low-temperature thermoelectric applications possible.Article Citation - WoS: 8Citation - Scopus: 9Toward Optimized Charge Transport in Multilayer Reduced Graphene Oxides(American Chemical Society, 2022) Çınar, Mustafa Neşet; Antidormi, Aleandro; Nguyen, Viet-Hung; Kovtun, Alessandro; Lara-Avila, Samuel; Liscio, Andrea; Charlier, Jean-Christophe; Roche, Stephan; Sevinçli, HaldunIn the context of graphene-based composite applications, a complete understanding of charge conduction in multilayer reduced graphene oxides (rGO) is highly desirable. However, these rGO compounds are characterized by multiple and different sources of disorder depending on the chemical method used for their synthesis. Most importantly, the precise role of interlayer interaction in promoting or jeopardizing electronic flow remains unclear. Here, thanks to the development of a multiscale computational approach combining first-principles calculations with large-scale transport simulations, the transport scaling laws in multilayer rGO are unraveled, explaining why diffusion worsens with increasing film thickness. In contrast, contacted films are found to exhibit an opposite trend when the mean free path becomes shorter than the channel length, since conduction becomes predominantly driven by interlayer hopping. These predictions are favorably compared with experimental data and open a road toward the optimization of graphene-based composites with improved electrical conduction.