arXiv subjects

Hasan Sahin

Publications and source records attributed to Hasan Sahin.

At least 19 recordsLinked to original sources

arXiv2026

Pressure-Tuned Competing Electronic States in Layered Tellurides

Layered transition-metal dichalcogenides (TMDs) host competing electronic states that can be tuned by external perturbations, providing a platform to explore the interplay between disorder, electronic structure, and quantum transport. Here we investigate magnetotransport in bulk semiconducting 2H-MoTe2 under hydrostatic pressure. At ambient pressure, transport evolves from high-temperature metallic behavior into activated conduction and ultimately a strongly localized variable-range hopping regime, accompanied by a pronounced magnetotransport anomaly near 45 K and large, nonsaturating magnetoresistance extending up to an unprecedented field of 60 T in semiconducting 2H-MoTe2. Under compression to 15.6 GPa, the insulating state is rapidly suppressed and a low-resistivity regime emerges in which quantum interference dominates, exhibiting a crossover from weak antilocalization (WAL) to weak localization (WL) at low temperatures. A physically motivated phenomenological description captures the magnetoresistance across these regimes and yields a characteristic electronic length scale that remains comparable across the localized and quantum-interference regimes. First-principles calculations reveal a continuous pressure-driven collapse of the bandgap into a semimetallic electronic structure. These results establish a unified picture of pressure-tuned transport spanning hopping and quantum-coherent regimes.

cond-mat.str-el↗

arXiv2026

Ferromagnetism above 200 K in organic-ion intercalated CrSBr

CrSBr is a van der Waals magnetic semiconductor exhibiting antiferromagnetic order below 140 K. It has emerged as a promising platform for engineering 2D magnetism because its intertwined electronic, optical, and magnetic properties can be profoundly modified via external stimuli such as electrical gating or magnetic fields. However, other strategies for tuning magnetism in layered materials, such as molecular intercalation, remain largely unexplored for CrSBr. Here, we demonstrate that the intercalation of tetramethylammonium (TMA) and tetrapropylammonium (TPA) ions into CrSBr induces a transition from antiferromagnetic to ferromagnetic order, while significantly enhancing the magnetic transition temperature to 190 K (TMA) and 230 K (TPA). The resulting intercalates are air-stable and exhibit large, hysteretic magnetoresistance exceeding 60% at 50 K in the TPA case. Besides, intercalation introduces symmetry-breaking structural changes in each CrSBr plane, revealed by Raman microscopy and corroborated by density functional theory (DFT) calculations. These findings highlight molecular intercalation as a powerful and versatile route to tailor the magnetic properties of CrSBr and unlock its potential to fabricate robust, high-temperature 2D magnetic devices.

cond-mat.mtrl-sci↗

arXiv2025

Tunable magnetism in 2D organic-ion-intercalated MnPS3 via molecule-dependent vacancy generation

The magnetic properties of van der Waals materials are profoundly influenced by structural defects. The layered antiferromagnet MnPS3 offers a unique opportunity to explore defect-related magnetism, as Mn2+ vacancies can be generated by the intercalation of specific guest molecules. However, the effectiveness of this process in atomically thin flakes and the extent of the magnetic tunability remain unclear. Here, we show that the magnetic properties of MnPS3 can be tailored through the intercalation of different guest molecules. Notably, the insertion of four alkylammonium ions introduces different populations of Mn2+ vacancies, leading to a transition from the pristine antiferromagnetic state to more complex magnetic textures, including a ferrimagnetic state displaying a magnetic saturation of 1 uB/atom. Moreover, we show that the intercalation of few-nm-thick flakes also leads to the emergence of a ferrimagnetic response. This in-flake intercalation, which can be monitored in real time using optical microscopy, can be interrupted before completion, generating lateral heterostructures between pristine and intercalated areas. This approach opens the way to the use of partial intercalation to define regions with distinct magnetic properties within a single flake.

cond-mat.mtrl-sci↗

arXiv2023

Thickness-dependent Characteristics and Oxidation of Cadmium

In this study, the structural, electronic and vibrational properties of thinnest possible Cadmium crystal are investigated by performing first-principle calculations. Total energy optimization and dynamic stability calculations reveal that the thinnest possible crystal structure is a double-layered structure consisting of alternating layers formed by trigonal arrangements of Cd atoms. Excessive softening of optical phonons occurs as a result of structural relaxation when going from a bulk to a single layer (SL) structure. It is also shown that thinnest structure obtained from bulk Cd crystals maintains its metallic feature despite the dimensional crossover. In addition, it is predicted through calculations that the SL Cd crystal strongly interacts with oxygen and that the oxidized regions even undergo chemical transformation to form the CdO crystal. In the double-layer CdO crystal resulting from the oxidation of individual Cd layers, the layers are connected to each other with strong covalent bonds, and this structure is a semiconductor with a band gap of 2.10 eV. While the robust metallic structure of the thinnest possible Cd crystal provides flexibility in terms of its use in nanoscale applications, on the other hand, the fact that its electronic properties can be changed by oxidation is important for optoelectronic device applications.

cond-mat.mtrl-sci↗

arXiv2022

Electronic, Magnetic and Vibrational Properties of Single Layer Aluminum Oxide

The structural, magnetic, vibrational and electronic properties of single layer aluminum oxide (AlO2) are investigated by performing state-of-the-art first-principles calculations. Total energy optimization and phonon calculations reveal that aluminum oxide forms a distorted octahedral structure (1T'-AlO2) in its single layer limit. It is also shown that surfaces of 1T'-AlO2 display magnetic behavior originating from the O atoms. While the ferromagnetic (FM) state is the most favorable magnetic order for 1T'-AlO2, transformation to a dynamically stable antiferromagnetic (AFM) state upon a slight distortion in the crystal structure is also possible. It is also shown that Raman activities (350-400 cm^-1) obtained from the vibrational spectrum can be utilized to distinguish the possible magnetic phases of the crystal structure. Electronically, both FM and the AFM phases are semiconductors with an indirect band gap and they can form a type-III vdW heterojunction with graphene-like ultra-thin materials. Moreover, it is predicted that presence of oxygen defects that inevitably occur during synthesis and production do not alter the magnetic state, even at high vacancy density. Apparently, ultra-thin 1T'-AlO2 with its stable crystal structure, semiconducting nature and robust magnetic state is a quite promising material for nanoscale device applications.

cond-mat.mtrl-sci↗

arXiv2022

Edge and Width Dependent Electronic Properties of Nanoribbons of Manganese Oxide

In the present work, the structural, magnetic, and electronic properties of the two- and one-dimensional honeycomb structures of recently synthesized MnO [Zhang et al. Nat. Commun., 20, 1073-1078 (2021)] are investigated by using first principles calculations. Our calculations show that the single layer 2D MnO crystal has a degenerate antiferromagnetic (AFM) ground state and a relatively less favorable ferromagnetic (FM) state. In addition, magnetic anisotropy calculations unveil that the easy-axis direction for magnetism originating from unpaired electron states in manganese atoms is normal to the crystal plane. Electronically, while the FM-MnO is a direct semiconductor with a narrow bandgap, AFM phases display large indirect bandgap semiconducting behavior. Moreover, calculations on nanoribbons of MnO reveal that zigzag edged ribbons display metallic bahavior, whereas armchair edged nanoribbons are semiconductors. Magnetically, for both zigzag- or armchair-edged nanoribbons, AFM order perpendicular to the nanoribbon growth direction is found to be favorable over the other AFM and FM orders. Moreover, depending on the edge symmetry and ribbon width, forbidden band gap values of nanoribbons display distinct family behaviors.

cond-mat.mtrl-sci↗

arXiv2020

Prevalence of oxygen defects in an in-plane anisotropic transition metal dichalcogenide

Atomic scale defects in semiconductors enable their technological applications and realization of novel 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 ReS$_2$. 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.

cond-mat.mtrl-sci↗

arXiv2020

EndoSLAM Dataset and An Unsupervised Monocular Visual Odometry and Depth Estimation Approach for Endoscopic Videos: Endo-SfMLearner

Deep learning techniques hold promise to develop dense topography reconstruction and pose estimation methods for endoscopic videos. However, currently available datasets do not support effective quantitative benchmarking. In this paper, we introduce a comprehensive endoscopic SLAM dataset consisting of 3D point cloud data for six porcine organs, capsule and standard endoscopy recordings as well as synthetically generated data. A Panda robotic arm, two commercially available capsule endoscopes, two conventional endoscopes with different camera properties, and two high precision 3D scanners were employed to collect data from 8 ex-vivo porcine gastrointestinal (GI)-tract organs. In total, 35 sub-datasets are provided with 6D pose ground truth for the ex-vivo part: 18 sub-dataset for colon, 12 sub-datasets for stomach and 5 sub-datasets for small intestine, while four of these contain polyp-mimicking elevations carried out by an expert gastroenterologist. Synthetic capsule endoscopy frames from GI-tract with both depth and pose annotations are included to facilitate the study of simulation-to-real transfer learning algorithms. Additionally, we propound Endo-SfMLearner, an unsupervised monocular depth and pose estimation method that combines residual networks with spatial attention module in order to dictate the network to focus on distinguishable and highly textured tissue regions. The proposed approach makes use of a brightness-aware photometric loss to improve the robustness under fast frame-to-frame illumination changes. To exemplify the use-case of the EndoSLAM dataset, the performance of Endo-SfMLearner is extensively compared with the state-of-the-art. The codes and the link for the dataset are publicly available at https://github.com/CapsuleEndoscope/EndoSLAM. A video demonstrating the experimental setup and procedure is accessible through https://www.youtube.com/watch?v=G_LCe0aWWdQ.

cs.CV↗

arXiv2019

Two-dimensional covalent crystals by chemical conversion of thin van der Waals materials

Most of the studied two-dimensional (2D) materials have been obtained by exfoliation of van der Waals crystals. Recently, there has been growing interest in fabricating synthetic 2D crystals which have no layered bulk analogues. These efforts have been focused mainly on the surface growth of molecules in high vacuum. Here, we report an approach to making 2D crystals of covalent solids by chemical conversion of van der Waals layers. As an example, we use 2D indium selenide (InSe) obtained by exfoliation and converted it by direct fluorination into indium fluoride (InF3), which has a non-layered, rhombohedral structure and therefore cannot be possibly obtained by exfoliation. The conversion of InSe into InF3 is found to be feasible for thicknesses down to three layers of InSe, and the obtained stable InF3 layers are doped with selenium. We study this new 2D material by optical, electron transport and Raman measurements and show that it is a semiconductor with a direct bandgap of 2.2 eV, exhibiting high optical transparency across the visible and infrared spectral ranges. We also demonstrate the scalability of our approach by chemical conversion of large-area, thin InSe laminates obtained by liquid exfoliation into InF3 films. The concept of chemical conversion of cleavable thin van der Waals crystals into covalently-bonded non-cleavable ones opens exciting prospects for synthesizing a wide variety of novel atomically thin covalent crystals.

cond-mat.mtrl-sci↗

arXiv2019

Green Fabrication of Lanthanide doped Hydroxide-based Phosphors: Y(OH)3:Eu3+ Nanoparticles for White Light Generation

Phosphors serve as color conversion layers to generate white light with varying optical features including CRI, CCT, and luminous efficacy. However, they have been produced in harsh synthesis conditions such as high temperature, high pressure, and/or employing a huge amount of solvents. In this work, facile, water-based and a rapid method has been proposed to fabricate lanthanide doped hydroxide-based phosphors. In this sense, submicrometer-sized Y(OH)3:Eu3+ particles, as red phosphor, were synthesized in water at ambient conditions in <60 min reaction time. The doping ratio is controlled from 2.5 to 20% in terms of mole. Meanwhile, first principle calculations were also 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 PDMS/YAG:Ce3+ composite to generate white light. The resulting white light showed a remarkable improvement (~24%) for LER, a slight reduction of CCT (from 3900K to 3600K), and an unchanged CRI (~60) as the amount of Y(OH)3:Eu3+ increases.

cond-mat.mtrl-sci↗

arXiv2018

Electronic and Vibrational Properties of PbI 2 : From Bulk to Monolayer

Using first-principles calculations, we study the dependence of the electronic and vibrational properties of multi-layered PbI 2 crystals on the number of layers and focus on the electronic-band structure and the Raman spectrum. Electronic-band structure calculations reveal that the direct or indirect semiconducting behavior of PbI 2 is strongly influenced by the number of layers. We find that at 3L-thickness there is a direct-to-indirect band gap transition (from bulk-to-monolayer). It is shown that in the Raman spectrum two prominent peaks, A 1g and E g , exhibit phonon hardening with increasing number of layers due to the inter-layer van der Waals interaction. Moreover, the Raman activity of the A 1g mode significantly increases with increasing number of layers due to the enhanced out-of-plane dielectric constant in the few-layer case. We further characterize rigid-layer vibrations of low-frequency inter-layer shear (C) and breathing (LB) modes in few-layer PbI 2 . A reduced mono-atomic (linear) chain model (LCM) provides a fairly accurate picture of the number of layers dependence of the low-frequency modes and it is shown also to be a powerful tool to study the inter-layer coupling strength in layered PbI 2 .

cond-mat.mes-hall↗

arXiv2018

CsPbBr3 Perovskites: Theoretical and Experimental Investigation on Water-Assisted Transition From Nanowire Formation to Degradation

Recent advances in colloidal synthesis methods have led to increased research focus on halide perovskites. Due to highly ionic crystal structure of perovskite materials, stability issue pops up especially against polar solvents such as water. In this study, we investigate water-driven structural evolution of CsPbBr3 by performing experiments and state-of-the-art first-principles calculations. It is seen that while optical image shows the gradual degradation of yellowish-colored CsPbBr3 structure under daylight, UV illumination reveals that the degradation of crystals takes place in two steps; transition from blue-emitting to green-emitting structure and and then transition from green-emitting phase to complete degradation. We found that as-synthesized CsPbBr3 NWs emit blue light under 254 nm UV source and before the degradation, first CsPbBr3 NWs undergoes a water-driven structural transition to form large bundles. It is also seen that formation of such bundles provide longer-term environmental stability. In addition theoretical calculations revealed how strong is the interaction of water molecules with ligands and surfaces of CsPbBr3 and provide atomistic-level explanation to transition from ligand-covered nanowires to bundle formation. Further interaction of green-light-emitting bundles with water causes complete degradation of CsPbBr3 and photoluminescence signal is entirely quenched. Moreover, Raman and XRD measurements revealed that completely degraded regions are decomposed to PbBr2 and CsBr precursors. We believe that findings of this study may provide further insight into the degradation mechanism of CsPbBr3 perovskite by water.

cond-mat.mtrl-sci↗

arXiv2017

Stable Monolayer alpha-Phase of CdTe: Strain-Dependent Properties

CdTe is a well known and widely used binary compound for optoelectronic applications. In this study, we propose the thinnest, free standing monolayer of CdTe which holds the tetragonal-PbO (alpha-PbO) symmetry. The structural, electronic, vibrational and strain dependent properties are investigated by means of first principles calculations based on density functional theory. Our results demonstrate that the monolayer alpha-CdTe is a dynamically stable and mechanically flexible material. It is found that the thinnest monolayer crystal of CdTe is a semiconductor with a direct band gap of 1.95 eV, which corresponds to red light in the visible spectrum. Moreover, it is found that the band gap can be tunable under biaxial strain. With its strain-controllable direct band gap within the visible spectrum, stable alpha-phase of monolayer CdTe is a suitable candidate for optoelectronic device applications.

cond-mat.mes-hall↗

arXiv2017

Stable Ultra-thin CdTe Crystal: A Robust Direct Gap Semiconductor

Employing density functional theory based calculations, we investigate structural, vibrational and strain-dependent electronic properties of an ultra-thin CdTe crystal structure that can be de- rived 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 per- pendicular 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.

cond-mat.mes-hall↗

arXiv2017

Thinning CsPb2Br5 Perovskite Down to Monolayers: Cs-dependent Stability

Using first-principles density functional theory calculations, we systematically investigate the structural, electronic and vibrational properties of bulk and potential single-layer structures of perovskite-like CsPb2Br5 crystal. It is found that while Cs atoms have no effect on the electronic structure, their presence is essential for the formation of stable CsPb2Br5 crystals. Calculated vibrational spectra of the crystal reveal that not only the bulk form but also the single-layer forms of CsPb2Br5 are dynamically stable. Predicted single-layer forms can exhibit either semiconducting or metallic character. Moreover, modification of the structural, electronic and magnetic properties of single-layer CsPb2Br5 upon formation of vacancy defects is investigated. It is found that the formation of Br vacancy (i) has the lowest formation energy, (ii) significantly changes the electronic structure, and (iii) leads to ferromagnetic ground state in the single-layer CsPb2Br5 . However, the formation of Pb and Cs vacancies leads to p-type doping of the single-layer structure. Results reported herein reveal that single-layer CsPb2Br5 crystal is a novel stable perovskite with enhanced functionality and a promising candidate for nanodevice applications.

cond-mat.mes-hall↗

arXiv2016

Electronic, Optical and Mechanical Properties of Silicene Derivatives

Successful isolation of graphene from graphite opened a new era for material science and con- densed matter physics. Due to this remarkable achievement, there has been an immense interest to synthesize new two dimensional materials and to investigate their novel physical properties. Silicene, form of Si atoms arranged in a buckled honeycomb geometry, has been successfully synthesized and emerged as a promising material for nanoscale device applications. However, the major obstacle for using silicene in electronic applications is the lack of a band gap similar to the case of graphene. Therefore, tuning the electronic properties of silicene by using chemical functionalization methods such as hydrogenation, halogenation or oxidation has been a focus of interest in silicene research. In this paper, we review the recent studies on the structural, electronic, optical and mechanical proper- ties of silicene-derivative structures. Since these derivatives have various band gap energies, they are promising candidates for the next generation of electronic and optoelectronic device applications.

cond-mat.mes-hall↗

arXiv2014

Tuning of the electronic and optical properties of single layer black phosphorus by strain

Using first principles calculations we showed that the electronic and optical properties of single layer black phosphorus (BP) depend strongly on the applied strain. Due to the strong anisotropic atomic structure of BP, its electronic conductivity and optical response are sensitive to the magnitude and the orientation of the applied strain. We found that the inclusion of many body effects is essential for the correct description of the electronic properties of monolayer BP; for example while the electronic gap of strainless BP is found to be 0.90 eV by using semilocal functionals, it becomes 2.31 eV when many-body effects are taken into account within the G0W0 scheme. Applied tensile strain was shown to significantly enhances electron transport along zigzag direction of BP. Furthermore, biaxial strain is able to tune the optical band gap of monolayer BP from 0.38 eV (at -8% strain) to 2.07 eV (at 5.5%). The exciton binding energy is also sensitive to the magnitude of the applied strain. It is found to be 0.40 eV for compressive biaxial strain of -8%, and it becomes 0.83 eV for tensile strain of 4%. Our calculations demonstrate that the optical response of BP can be significantly tuned using strain engineering which appears as a promising way to design novel photovoltaic devices that capture a broad range of solar spectrum.

cond-mat.mes-hall↗

arXiv2013

Stone-Wales Defects in Silicene: Formation, Stability and Reactivity of Defect Sites

During the synthesis of ultra-thin materials with hexagonal lattice structure Stone-Wales (SW) type of defects are quite likely to be formed and the existence of such topological defects in the graphene-like structures results in dramatical changes of their electronic and mechanical properties. Here we investigate the formation and reactivity of such SW defects in silicene. We report the energy barrier for the formation of SW defects in freestanding (~2.4 eV) and Ag(111)-supported (~2.8 eV) silicene and found it to be significantly lower than in graphene (~9.2 eV). Moreover, the buckled nature of silicene provides a large energy barrier for the healing of the SW defect and therefore defective silicene is stable even at high temperatures. Silicene with SW defects is semiconducting with a direct bandgap of 0.02 eV and this value depends on the concentration of defects. Furthermore, nitrogen substitution in SW defected silicene shows that the defect lattice sites are the least preferable substitution locations for the N atoms. Our findings show the easy formation of SW defects in silicene and also provide a guideline for bandgap engineering in silicene-based materials through such defects.

cond-mat.mtrl-sci↗