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Author Yang, S.; Kang, J.; Yue, Q.; Coey, J.M.D.; Jiang, C.
Title Defect-modulated transistors and gas-enhanced photodetectors on ReS2 nanosheets Type A1 Journal article
Year 2016 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
Volume 3 Issue 3 Pages 1500707
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000373149400011 Publication Date 2016-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2196-7350; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.279 Times cited 22 Open Access
Notes ; This work was supported by the National Natural Science Foundations of China (NSFC) under Grant No.51331001. The authors thank S. Tongay for giving them the ReS<INF>2</INF> crystals. ; Approved Most recent IF: 4.279
Call Number UA @ lucian @ c:irua:133232 Serial 4159
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Author Bafekry, A.; Stampfl, C.; Shayesteh, S.F.; Peeters, F.M.
Title Exploiting the novel electronic and magnetic structure of C3Nvia functionalization and conformation Type A1 Journal article
Year 2019 Publication Advanced Electronic Materials Abbreviated Journal Adv Electron Mater
Volume 5 Issue 5 Pages 1900459
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract 2D polyaniline, C3N, is of recent high interest due to its unusual properties and potential use in various technological applications. In this work, through systematic first-principles calculations, the atomic, electronic, and magnetic structure of C3N and the changes induced due to functionalization by the adsorption of hydrogen, oxygen, and fluorine, for different coverages and sites, as well as on formation of nanoribbons including the effect of adsorbed hydrogen and oxygen, and the effect of strain, are investigated. Among other interesting phenomena, for hydrogen adsorption, a semiconductor-to-topological insulator transition, where two Dirac-points appear around the Fermi level, as well as ferromagnetic ordering for both hydrogen and oxygen functionalization, is identified. Considering C3N nanoribbons, adsorption of H leads to significant changes in the electronic properties, such as transforming the structures from semiconductor to metallic. Furthermore, investigating the effect of strain on the physical properties, it is found that the band gap can be significantly altered and controlled. The present findings predict that a wide variation in the magnetic and electronic structure of C3N can be achieved by adatom functionalization and conformation indicating its high potential for use in various technological applications, ranging from catalysis, energy storage, and nanoelectronic devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000486528200001 Publication Date 2019-09-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2199-160x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.193 Times cited 35 Open Access
Notes ; This work was supported by the FLAG-ERA project 2DTRANS and the Flemish Science Foundation (FWO-Vl). In addition, we acknowledge the OpenMX team for OpenMX code. ; Approved Most recent IF: 4.193
Call Number UA @ admin @ c:irua:162790 Serial 5414
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Author Yan, X.F.; Chen, Q.; Li, L.L.; Guo, H.Z.; Peng, J.Z.; Peeters, F.M.
Title High performance piezotronic spin transistors using molybdenum disulfide nanoribbon Type A1 Journal article
Year 2020 Publication Nano Energy Abbreviated Journal Nano Energy
Volume 75 Issue Pages 104953
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Two-dimensional (2D) materials are promising candidates for atomic-scale piezotronics and piezophototronics. Quantum edge states show fascinating fundamental physics such as nontrivial topological behavior and hold promising practical applications for low-power electronic devices. Here, using the tight-binding approach and quantum transport simulations, we investigate the piezotronic effect on the spin polarization of edge states in a zigzag-terminated monolayer MoS2 nanoribbon. We find that the strain-induced piezoelectric potential induces a phase transition of edge states from metal to semiconductor. However, in the presence of exchange field, edge states become semi-metallic with significant spin splitting and polarization that can be tuned by external strain. We show that quantum transport conductance exhibits a 100% spin polarization over a wide range of strain magnitudes. This effect is used in a propose prototype of piezotronic spin transistor. Our results provide a fundamental understanding of the piezotronic effect on edge states in zigzag monolayer MoS2 nanoribbons and are relevant for designing high-performance piezotronic spin devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000560729200011 Publication Date 2020-05-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2211-2855 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 17.6 Times cited 17 Open Access
Notes ; This work was supported by Hunan Provincial Natural Science Foundation of China (Nos. 2015JJ2040, 2018JJ2078), Scientific Research Fund of Hunan Provincial Education Department (19A106), and the Funeral Service Foundation (FWO-VI). ; Approved Most recent IF: 17.6; 2020 IF: 12.343
Call Number UA @ admin @ c:irua:171123 Serial 6535
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Author Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Batuk, M.; Hadermann, J.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.
Title Effect of zinc oxide modification by indium oxide on microstructure, adsorbed surface species, and sensitivity to CO Type A1 Journal article
Year 2019 Publication Frontiers in materials Abbreviated Journal
Volume 6 Issue 6 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Additives in semiconductor metal oxides are commonly used to improve sensing behavior of gas sensors. Due to complicated effects of additives on the materials microstructure, adsorption sites and reactivity to target gases the sensing mechanism with modified metal oxides is a matter of thorough research. Herein, we establish the promoting effect of nanocrystalline zinc oxide modification by 1-7 at.% of indium on the sensitivity to CO gas due to improved nanostructure dispersion and concentration of active sites. The sensing materials were synthesized via an aqueous coprecipitation route. Materials composition, particle size and BET area were evaluated using X-ray diffraction, nitrogen adsorption isotherms, high-resolution electron microscopy techniques and EDX-mapping. Surface species of chemisorbed oxygen, OH-groups, and acid sites were characterized by probe molecule techniques and infrared spectroscopy. It was found that particle size of zinc oxide decreased and the BET area increased with the amount of indium oxide. The additive was observed as amorphous indium oxide segregated on agglomerated ZnO nanocrystals. The measured concentration of surface species was higher on In2O3-modified zinc oxide. With the increase of indium oxide content, the sensor response of ZnO/In2O3 to CO was improved. Using in situ infrared spectroscopy, it was shown that oxidation of CO molecules was enhanced on the modified zinc oxide surface. The effect of modifier was attributed to promotion of surface OH-groups and enhancement of CO oxidation on the segregated indium ions, as suggested by DFT in previous work.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000461540600001 Publication Date 2019-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2296-8016 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 11 Open Access OpenAccess
Notes ; Research was supported by the grant from Russian Science Foundation (project No. 18-73-00071). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:158540 Serial 5205
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Author Torsello, D.; Ummarino, G.A.; Bekaert, J.; Gozzelino, L.; Gerbaldo, R.; Tanatar, M.A.; Canfield, P.C.; Prozorov, R.; Ghigo, G.
Title Tuning the intrinsic anisotropy with disorder in the CaKFE₄As₄ superconductor Type A1 Journal article
Year 2020 Publication Physical Review Applied Abbreviated Journal Phys Rev Appl
Volume 13 Issue 6 Pages 064046-64049
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We report on the anisotropy of the London penetration depth of CaKFe4As4, discussing how it relates to its electronic structure and how it modifies under introduction of disorder, both chemically induced (by Ni substitution) and irradiation induced (by 3.5-MeV protons). Indeed, CaKFe4As4 is particularly suitable for the study of fundamental superconducting properties due to its stoichiometric composition, exhibiting clean-limit behavior in the pristine samples and having a fairly high critical temperature, T-c approximate to 35 K. The London penetration depth lambda(L) is measured with a microwave-coplanar-resonator technique that allows us to deconvolve the anisotropic contributions lambda(L,ab) and lambda(L,c) and obtain the anisotropy parameter gamma(lambda) = lambda(L,c)/lambda(L,ab). The gamma(lambda) (T) found for the undoped pristine sample is in good agreement with previous literature and is here compared to ab initio density-functional-theory and Eliashberg calculations. The dependence of gamma(lambda) (T) on both chemical and irradiation-induced disorder is discussed to highlight which method is more suitable to decrease the direction dependence of the electromagnetic properties while maintaining a high critical temperature. Lastly, the relevance of an intrinsic anisotropy such as gamma(lambda) on application-related anisotropic parameters (critical current, pinning) is discussed in light of the recent employment of CaKFe4As4 in the production of wires.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000540915800003 Publication Date 2020-06-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.6 Times cited 4 Open Access
Notes ; This work was partially supported by the Italian Ministry of Education, University and Research (Project PRIN “HIBiSCUS,” Grant No. 201785KWLE). J.B. acknowledges the support of a postdoctoral fellowship of the Research Foundation-Flanders (FWO). The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. Work done at Ames Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. G.A.U. acknowledges support from the MEPhI Academic Excellence Project (Contract No. 702.a03.21.0005). ; Approved Most recent IF: 4.6; 2020 IF: 4.808
Call Number UA @ admin @ c:irua:170178 Serial 6641
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Author Yin, L.; Juneja, R.; Lindsay, L.; Pandey, T.; Parker, D.S.
Title Semihard iron-based permanent-magnet materials Type A1 Journal article
Year 2021 Publication Physical Review Applied Abbreviated Journal Phys Rev Appl
Volume 15 Issue 2 Pages 024012
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Permanent magnets generally require a favorable, but difficult-to-achieve combination of high magnetization, Curie point, and magnetic anisotropy. Thus there have been few, if any, viable permanent magnets developed since the 1982 discovery of Nd2Fe14B [M. Sagawa, S. Fujimura, H. Yamamoto, Y. Matsuura, and S. Hirosawa, J. Appl. Phys. 57, 4094 (1985)]. Here we point out, both by direct first-principles calculations on the iron carbides and silicides Fe5C2, Fe5SiC, and Fe7C3 as well as a discussion of recent experimental findings, that there are numerous rare-earth-free iron-rich potential permanent-magnet materials with sufficient intrinsic magnetic properties to reasonably achieve room-temperature energy products of 20-25 MG Oe. This is substantially better than the performance of the best available rare-earth-free magnets based on ferrite, as well as shape-anisotropy-employing alnico. These magnets could plausibly fill, at low cost, the present performance “gap” [J. M. D. Coey, Scr. Mater. 67, 524 (2012)] between the best rare-earth-free magnets and rare-earth magnets such as Nd2Fe14B and Sm-Co.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000614707800002 Publication Date 2021-02-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.808 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 4.808
Call Number UA @ admin @ c:irua:176624 Serial 6734
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Author Sethu, K.K.V.; Ghosh, S.; Couet, S.; Swerts, J.; Sorée, B.; De Boeck, J.; Kar, G.S.; Garello, K.
Title Optimization of tungsten beta-phase window for spin-orbit-torque magnetic random-access memory Type A1 Journal article
Year 2021 Publication Physical Review Applied Abbreviated Journal Phys Rev Appl
Volume 16 Issue 6 Pages 064009
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Switching induced by spin-orbit torque (SOT) is being vigorously explored, as it allows the control of magnetization using an in-plane current, which enables a three-terminal magnetic-tunnel-junction geometry with isolated read and write paths. This significantly improves the device endurance and the read stability, and allows reliable subnanosecond switching. Tungsten in the beta phase, beta-W, has the largest reported antidamping SOT charge-to-spin conversion ratio (theta(AD) approximate to -60%) for heavy metals. However, beta-W has a limitation when one is aiming for reliable technology integration: the beta phase is limited to a thickness of a few nanometers and enters the alpha phase above 4 nm in our samples when industry-relevant deposition tools are used. Here, we report our approach to extending the range of beta-W, while simultaneously improving the SOT efficiency by introducing N and O doping of W. Resistivity and XRD measurements confirm the extension of the beta phase from 4 nm to more than 10 nm, and transport characterization shows an effective SOT efficiency larger than -44.4% (reaching approximately -60% for the bulk contribution). In addition, we demonstrate the possibility of controlling and enhancing the perpendicular magnetic anisotropy of a storage layer (Co-Fe-B). Further, we integrate the optimized W(O, N) into SOT magnetic random-access memory (SOT-MRAM) devices and project that, for the same thickness of SOT material, the switching current decreases by 25% in optimized W(O, N) compared with our standard W. Our results open the path to using and further optimizing W for integration of SOT-MRAM technology.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000729005800002 Publication Date 2021-12-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.808 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 4.808
Call Number UA @ admin @ c:irua:184832 Serial 7007
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Author Tao, Z.H.; Dong, H.M.; Milošević, M.V.; Peeters, F.M.; Van Duppen, B.
Title Tailoring dirac plasmons via anisotropic dielectric environment by design Type A1 Journal article
Year 2021 Publication Physical Review Applied Abbreviated Journal Phys Rev Appl
Volume 16 Issue 5 Pages 054030
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Dirac plasmons in a two-dimensional (2D) crystal are strongly affected by the dielectric properties of the environment, due to interaction of their electric field lines with the surrounding medium. Using graphene as a 2D reservoir of free carriers, one can engineer a material configuration that provides an anisotropic environment to the plasmons. In this work, we discuss the physical properties of Dirac plasmons in graphene surrounded by an arbitrary anisotropic dielectric and exemplify how h-BN-based heterostructures can be designed to bear the required anisotropic characteristics. We calculate how dielec-tric anisotropy impacts the spatial propagation of the plasmons and find that an anisotropy-induced plasmon mode emerges, together with a damping pathway, that stem from the out-of-plane off-diagonal elements in the dielectric tensor. Furthermore, we find that one can create hyperbolic plasmons by inher-iting the dielectric hyperbolicity of the designed material environment. Strong control over plasmon propagation patterns can be realized in a similar manner. Finally, we show that in this way one can also control the polarization of the light-matter excitations that constitute the plasmon. Taken together, our results promote the design of the dielectric environment as an effective path to tailor the plasmonic response of graphene on the nanoscopic level.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000720372500002 Publication Date 2021-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.808 Times cited 1 Open Access Not_Open_Access
Notes Approved Most recent IF: 4.808
Call Number UA @ admin @ c:irua:184063 Serial 7028
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Author Tiwari, S.; Van de Put, M.L.; Temst, K.; Vandenberghe, W.G.; Sorée, B.
Title Atomistic modeling of spin and electron dynamics in two-dimensional magnets switched by two-dimensional topological insulators Type A1 Journal article
Year 2023 Publication Physical review applied Abbreviated Journal
Volume 19 Issue 1 Pages 014040-14049
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract To design fast memory devices, we need material combinations that can facilitate fast read and write operations. We present a heterostructure comprising a two-dimensional (2D) magnet and a 2D topological insulator (TI) as a viable option for designing fast memory devices. We theoretically model the spin-charge dynamics between 2D magnets and 2D TIs. Using the adiabatic approximation, we combine the nonequi-librium Green's function method for spin-dependent electron transport and a time-quantified Monte Carlo method for simulating magnetization dynamics. We show that it is possible to switch a magnetic domain of a ferromagnet using the spin torque from spin-polarized edge states of a 2D TI. We show further that the switching of 2D magnets by TIs is strongly dependent on the interface exchange (Jint), and an opti-mal interface exchange, is required for efficient switching. Finally, we compare experimentally grown Cr compounds and show that Cr compounds with higher anisotropy (such as CrI3) result in a lower switching speed but a more stable magnetic order.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000920227500002 Publication Date 2023-01-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.6 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 4.6; 2023 IF: 4.808
Call Number UA @ admin @ c:irua:194312 Serial 7283
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Author Jiang, J.; Milošević, M.V.; Wang, Y.-L.; Xiao, Z.-L.; Peeters, F.M.; Chen, Q.-H.
Title Field-free superconducting diode in a magnetically nanostructured superconductor Type A1 Journal article
Year 2022 Publication Physical review applied Abbreviated Journal Phys Rev Appl
Volume 18 Issue 3 Pages 034064-34069
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A strong superconducting diode effect (SDE) is revealed in a thin superconducting film periodically nanostructured with magnetic dots. The SDE is caused by the current-activated dissipation mitigated by vortex-antivortex pairs (VAPs), which periodically nucleate under the dots, move and annihilate in the superconductor-eventually driving the system to the high-resistive state. Inversing the polarity of the applied current destimulates the nucleation of VAPs, the system remains superconducting up to far larger currents, leading to the pronounced diodic response. Our dissipative Ginzburg-Landau simulations detail the involved processes, and provide reliable geometric and parametric ranges for the experimental realiza-tion of such a nonvolatile superconducting diode, which operates in the absence of any applied magnetic field while being fluxonic by design.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000870234200001 Publication Date 2022-09-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.6 Times cited 2 Open Access OpenAccess
Notes Approved Most recent IF: 4.6
Call Number UA @ admin @ c:irua:191539 Serial 7307
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Author Karaaslan, Y.; Yapicioglu, H.; Sevik, C.
Title Assessment of Thermal Transport Properties of Group-III Nitrides: A Classical Molecular Dynamics Study with Transferable Tersoff-Type Interatomic Potentials Type A1 Journal article
Year 2020 Publication Physical Review Applied Abbreviated Journal Phys Rev Appl
Volume 13 Issue 3 Pages 034027
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In this study, by means of classical molecular dynamics simulations, we investigate the thermal-transport properties of hexagonal single-layer, zinc-blend, and wurtzite phases of BN, AlN, and GaN crystals, which are very promising for the application and design of high-quality electronic devices. With this in mind, we generate fully transferable Tersoff-type empirical interatomic potential parameter sets by utilizing an optimization procedure based on particle-swarm optimization. The predicted thermal properties as well as the structural, mechanical, and vibrational properties of all materials are in very good agreement with existing experimental and first-principles data. The impact of isotopes on thermal transport is also investigated and between approximately 10 and 50% reduction in phonon thermal transport with random isotope distribution is observed in BN and GaN crystals. Our investigation distinctly shows that the generated parameter sets are fully transferable and very useful in exploring the thermal properties of systems containing these nitrides.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000518820200003 Publication Date 2020-03-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.6 Times cited Open Access
Notes Approved Most recent IF: 4.6; 2020 IF: 4.808
Call Number UA @ admin @ c:irua:193766 Serial 7508
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Author Sevik, C.; Çakir, D.
Title Tailoring Storage Capacity and Ion Kinetics in Ti2CO2/Graphene Heterostructures by Functionalization of Graphene Type A1 Journal article
Year 2019 Publication Physical review applied Abbreviated Journal
Volume 12 Issue 1 Pages 014001
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using first-principles calculations, we evaluate the electrochemical performance of heterostructures made up of Ti2CO2 and chemically modified graphene for Li batteries. We find that heteroatom doping and molecule intercalation have a significant impact on the storage capacity and Li migration barrier energies. While N and S doping do not improve the storage capacity, B doping together with molecule interaction make it possible to intercalate two layers of Li, which stick separately to the surface of Ti2CO2 and B-doped graphene. The calculated diffusion-barrier energies (E-diff), which are between 0.3 and 0.4 eV depending on Li concentration, are quite promising for fast charge and discharge rates. Besides, the predicted E-diff as much as 2 eV for the diffusion of the Li atom from the Ti2CO2 surface to the B-doped graphene surface significantly suppresses the interlayer Li migration, which diminishes the charge and discharge rates. The calculated volume and lattice parameter changes indicate that Ti2CO2/graphene hybrid structures exhibit cyclic stability against Li loading and unloading. Consequently, first-principles calculations we perform evidently highlight the favorable effect of molecular intercalation on the capacity improvement of ion batteries.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000473312000001 Publication Date 2019-07-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:193755 Serial 8640
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Author Foltyn, M.; Norowski, K.; Wyszynski, M.J.; De Arruda, A.S.; Milošević, M.V.; Zgirski, M.
Title Probing confined vortices with a superconducting nanobridge Type A1 Journal article
Year 2023 Publication Physical review applied Abbreviated Journal
Volume 19 Issue 4 Pages 044073-12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We realize a superconducting nanodevice in which vortex traps in the form of an aluminum square are integrated with a Dayem nanobridge. We perform field cooling of the traps arriving to different vortex configurations, dependent on the applied magnetic field, to demonstrate that the switching current of the bridge is highly sensitive to the presence and location of vortices in the trap. Our measurements exhibit unprecedented precision and ability to detect the first and successive vortex entries into all fabricated traps, from few hundred nm to 2 mu m in size. The experimental results are corroborated by Ginzburg-Landau simulations, which reveal the subtle yet crucial changes in the density of the superconducting condensate in the vicinity of the bridge with every additional vortex entry and relocation inside the trap. An ease of integration and simplicity make our design a convenient platform for studying dynamics of vortices in strongly confining geometries, involving a promise to manipulate vortex states electronically with simultaneous in situ control and monitoring.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000980861100007 Publication Date 2023-04-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2331-7019 ISBN Additional Links UA library record; WoS full record
Impact Factor 4.6 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 4.6; 2023 IF: 4.808
Call Number UA @ admin @ c:irua:197356 Serial 8918
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Author Akande, S.O.; Samanta, B.; Sevik, C.; Cakir, D.
Title First-principles investigation of mechanical and thermal properties of M Al B (M = Mo, W), Cr₂ AlB₂, and Ti₂ In B₂ Type A1 Journal article
Year 2023 Publication Physical review applied Abbreviated Journal
Volume 20 Issue 4 Pages 044064-17
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The atomically laminated layered ternary transition-metal borides (the MAB phases) have demonstrated outstanding properties and have been applied in various fields. Understanding their thermal and mechanical properties is critical to determining their applicability in various fields such as high-temperature applications. To achieve this, we conducted first-principles calculations based on density-functional theory and the quasiharmonic approximation to determine the thermal expansion coefficients, Gruneisen parameters, bulk moduli, hardness, thermal conductivity, electron-phonon coupling parameters, and the structural and vibrational properties of MoAlB, WAlB, Cr2AlB2, and Ti2InB2. We found varying degrees of anisotropy in the thermal expansion and mechanical properties in spite of similarities in their crystal structures. MoAlB has a mild degree of anisotropy in its thermal expansion coefficient (TEC), while Cr2AlB2 and WAlB display the highest level of TEC anisotropy. We assessed various empirical models to calculate hardness and thermal conductivity, and correlated the calculated values with the material properties such as elastic moduli, Gruneisen parameter, Debye temperature, and type of bonding. Owing to their higher Gruneisen parameters, implying a greater degree of anharmonicity in lattice vibrations and lower phonon group velocities, MoAlB and WAlB have significantly lower lattice thermal conductivity values than those of Cr2AlB2 and Ti2InB2. The hardness and lattice thermal conductivity of MAB phases can be predicted with high accuracy if one utilizes an appropriate model.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001106456600003 Publication Date 2023-10-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2331-7019 ISBN Additional Links UA library record; WoS full record
Impact Factor 4.6 Times cited Open Access
Notes Approved Most recent IF: 4.6; 2023 IF: 4.808
Call Number UA @ admin @ c:irua:202078 Serial 9037
Permanent link to this record
 

 
Author Vermeulen, B.B.; Monteiro, M.G.; Giuliano, D.; Sorée, B.; Couet, S.; Temst, K.; Nguyen, V.D.
Title Magnetization-switching dynamics driven by chiral coupling Type A1 Journal article
Year 2024 Publication Physical review applied Abbreviated Journal
Volume 21 Issue 2 Pages 024050-11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The Dzyaloshinskii-Moriya interaction (DMI) is known to play a central role in stabilizing chiral spin textures such as skyrmions and domain walls (DWs). Electrical manipulation of DW and skyrmion motion offers possibilities for next-generation, scalable and energy-efficient spintronic devices. However, achieving the full potential of these nanoscale devices requires overcoming several challenges, including reliable electrical write and read techniques for these magnetic objects, and addressing pinning and Joule-heating concerns. Here, through micromagnetic simulations and analytical modeling, we show that DMI can directly induce magnetization switching of a nanomagnet with perpendicular magnetic anisotropy (PMA). We find that the switching is driven by the interplay between the DMI-induced magnetic frustration and the PMA. By introducing magnetic tunnel junctions to electrically access and control the magnetization direction of the PMA nanomagnet, we first show the potential of this concept to enable high-density fieldfree spin-orbit torque magnetic random-access memory. Ultimately, we demonstrate that it offers a way of transferring and processing spin information for logic operation without relying on current-driven DW or skyrmion motion.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001187487900001 Publication Date 2024-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:205518 Serial 9157
Permanent link to this record
 

 
Author Dobrota, A.S.; Vlahovic, J.; V. Skorodumova, N.; Pasti, I.A.
Title First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various Type A1 Journal article
Year 2022 Publication Materials Today Communications Abbreviated Journal
Volume 31 Issue Pages 103388-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Enhancing aluminium interaction with graphene-based materials is of crucial importance for the development of Al-storage materials and novel functional materials via atomically precise doping. Here, DFT calculations are employed to investigate Al interactions with non-doped and N-doped graphene nanoribbons (GNRs) and address the impact of the edge sites and N-containing defects on the material's reactivity towards Al. The presence of edges does not influence the energetics of Al adsorption significantly (compared to pristine graphene sheet). On the other hand, N-doping of graphene nanoribbons is found to affect the adsorption energy of Al to an extent that strongly depends on the type of N-containing defect. The introduction of edge-NO group and doping with in -plane pyridinic N result in Al adsorption nearly twice as strong as on pristine graphene. Moreover, double n-type doping via N and Al significantly alters the electronic structure of Al,N-containing GNRs. Our results suggest that selectively doped GNRs with pyridinic N can have enhanced Al-storage capacity and could be potentially used for selective Al electrosorption and removal. On the other hand, Al,N-containing GNRs with pyridinic N could also be used in resistive sensors for mechanical deformation. Namely, strain along the longitudinal axis of these dual doped GNRs does not affect the binding of Al but tunes the bandgap and causes more than 700-fold change in the conductivity. Thus, careful defect engineering and selective doping of GNRs with N (and Al) could lead to novel multifunctional materials with exceptional properties. [GRAPHICS]
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000820987400002 Publication Date 2022-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2352-4928 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:189563 Serial 7163
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Author Hafiz, H.; Suzuki, K.; Barbiellini, B.; Orikasa, Y.; Callewaert, V.; Kaprzyk, S.; Itou, M.; Yamamoto, K.; Yamada, R.; Uchimoto, Y.; Sakurai, Y.; Sakurai, H.; Bansil, A.
Title Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering Type A1 Journal article
Year 2017 Publication Science Advances Abbreviated Journal Sci. Adv.
Volume 3 Issue 8 Pages e1700971
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Reduction-oxidation (redox) reactions are the key processes that underlie the batteries powering smartphones, laptops, and electric cars. A redox process involves transfer of electrons between two species. For example, in a lithium-ion battery, current is generated when conduction electrons from the lithium anode are transferred to the redox orbitals of the cathode material. The ability to visualize or image the redox orbitals and how these orbitals evolve under lithiation and delithiation processes is thus of great fundamental and practical interest for understanding the workings of battery materials. We show that inelastic scattering spectroscopy using high-energy x-ray photons (Compton scattering) can yield faithful momentum space images of the redox orbitals by considering lithium iron phosphate (LiFePO4 or LFP) as an exemplar cathode battery material. Our analysis reveals a new link between voltage and the localization of transition metal 3d orbitals and provides insight into the puzzling mechanism of potential shift and how it is connected to the modification of the bond between the transition metal and oxygen atoms. Our study thus opens a novel spectroscopic pathway for improving the performance of battery materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000411589900055 Publication Date 2017-08-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2375-2548 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 9 Open Access
Notes The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (grant no. DE-FG02-07ER46352) and benefited from the Northeastern University’s Advanced Scientific Computation Center and the National Energy Research Scientific Computing Center supercomputing center through DOE grant no. DEAC02-05CH11231. The work at Gunma University, Japan Synchrotron Radiation Research Institute (JASRI), and Kyoto University was supported by the Japan Science and Technology Agency. K.S. was supported by Grant-in-Aid for Young Scientists (B) from MEXT KAKENHI under grant nos. 24750065 and 15K17873. The Compton scattering experiments were performed with the approval of JASRI (proposal no. 2014A1289). V.C. was supported by the FWO-Vlaanderen through project no. G. 1161 0224.14N. Approved Most recent IF: NA
Call Number CMT @ cmt @c:irua:145034 Serial 4637
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Author Wang, Z.; Wang, Y.B.; Yin, J.; Tovari, E.; Yang, Y.; Lin, L.; Holwill, M.; Birkbeck, J.; Perello, D.J.; Xu, S.; Zultak, J.; Gorbachev, R.V.; Kretinin, A.V.; Taniguchi, T.; Watanabe, K.; Morozov, S.V.; Andelkovic, M.; Milovanović, S.P.; Covaci, L.; Peeters, F.M.; Mishchenko, A.; Geim, A.K.; Novoselov, K.S.; Fal'ko, V.I.; Knothe, A.; Woods, C.R.
Title Composite super-moiré lattices in double-aligned graphene heterostructures = Composite super-moire lattices in double-aligned graphene heterostructures Type A1 Journal article
Year 2019 Publication Science Advances Abbreviated Journal
Volume 5 Issue 12 Pages eaay8897
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract When two-dimensional (2D) atomic crystals are brought into close proximity to form a van der Waals heterostructure, neighbouring crystals may influence each other's properties. Of particular interest is when the two crystals closely match and a moire pattern forms, resulting in modified electronic and excitonic spectra, crystal reconstruction, and more. Thus, moire patterns are a viable tool for controlling the properties of 2D materials. However, the difference in periodicity of the two crystals limits the reconstruction and, thus, is a barrier to the low-energy regime. Here, we present a route to spectrum reconstruction at all energies. By using graphene which is aligned to two hexagonal boron nitride layers, one can make electrons scatter in the differential moire pattern which results in spectral changes at arbitrarily low energies. Further, we demonstrate that the strength of this potential relies crucially on the atomic reconstruction of graphene within the differential moire super cell.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000505069600089 Publication Date 2019-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2375-2548 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 49 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:165754 Serial 6289
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Author Yasui, Y.; Lahabi, K.; Fernández Becerra, V.; Fermin, R.; Anwar, M.S.; Yonezawa, S.; Terashima, T.; Milošević, M.V.; Aarts, J.; Maeno, Y.
Title Spontaneous emergence of Josephson junctions in homogeneous rings of single-crystal Sr₂RuO₄ Type A1 Journal article
Year 2020 Publication npj Quantum Materials Abbreviated Journal
Volume 5 Issue 1 Pages 21-28
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The chiral p-wave order parameter in Sr2RuO4 would make it a special case amongst the unconventional superconductors. A consequence of this symmetry is the possible existence of superconducting domains of opposite chirality. At the boundary of such domains, the locally suppressed condensate can produce an intrinsic Josephson junction. Here, we provide evidence of such junctions using mesoscopic rings, structured from Sr2RuO4 single crystals. Our order parameter simulations predict such rings to host stable domain walls across their arms. This is verified with transport experiments on loops, with a sharp transition at 1.5 K, which show distinct critical current oscillations with periodicity corresponding to the flux quantum. In contrast, loops with broadened transitions at around 3 K are void of such junctions and show standard Little-Parks oscillations. Our analysis demonstrates the junctions are of intrinsic origin and makes a compelling case for the existence of superconducting domains.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000525721000001 Publication Date 2020-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2397-4648 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 10 Open Access
Notes ; The authors would like to thank S. Goswami, A. Singh, M. Kupryianov, S. Bakurskiy, J. Jobst, T. Nakamura, K. Adachi, Y. Liu, and Y. Asano for valuable discussions and comments, and F. Hubler, Y. Nakamura, and Y. Yamaoka for their technical contribution. This work was supported by a Grant-in-Aid for Scientific Research on Innovative Areas “Topological Materials Science” (KAKENHI Grant Nos. JP15H05852, JP15K21717, JP15H05851), JSPS-EPSRC Core-to-Core program (A. Advanced Research Network), JSPS research fellow (KAKENHI Grant No. JP16J10404), Grant-in-Aid JSPS KAKENHI JP26287078 and JP17H04848, and the Netherlands Organisation for Scientific Research (NWO/OCW), as part of the Frontiers of Nanoscience program. V.F.B. acknowledges support from the Foundation for Polish Science through the IRA Programme co-financed by EU within SG OP. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:168553 Serial 6613
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Author Conti, S.; Saberi-Pouya, S.; Perali, A.; Virgilio, M.; Peeters, F.M.; Hamilton, A.R.; Scappucci, G.; Neilson, D.
Title Electron-hole superfluidity in strained Si/Ge type II heterojunctions Type A1 Journal article
Year 2021 Publication npj Quantum Materials Abbreviated Journal
Volume 6 Issue 1 Pages 41
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Excitons are promising candidates for generating superfluidity and Bose-Einstein condensation (BEC) in solid-state devices, but an enabling material platform with in-built band structure advantages and scaling compatibility with industrial semiconductor technology is lacking. Here we predict that spatially indirect excitons in a lattice-matched strained Si/Ge bilayer embedded into a germanium-rich SiGe crystal would lead to observable mass-imbalanced electron-hole superfluidity and BEC. Holes would be confined in a compressively strained Ge quantum well and electrons in a lattice-matched tensile strained Si quantum well. We envision a device architecture that does not require an insulating barrier at the Si/Ge interface, since this interface offers a type II band alignment. Thus the electrons and holes can be kept very close but strictly separate, strengthening the electron-hole pairing attraction while preventing fast electron-hole recombination. The band alignment also allows a one-step procedure for making independent contacts to the electron and hole layers, overcoming a significant obstacle to device fabrication. We predict superfluidity at experimentally accessible temperatures of a few Kelvin and carrier densities up to similar to 6 x 10(10) cm(-2), while the large imbalance of the electron and hole effective masses can lead to exotic superfluid phases.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000642904200001 Publication Date 2021-04-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2397-4648 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 5 Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:178226 Serial 6984
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Author Chaves, A.; Azadani, J.G.; Alsalman, H.; da Costa, D.R.; Frisenda, R.; Chaves, A.J.; Song, S.H.; Kim, Y.D.; He, D.; Zhou, J.; Castellanos-Gomez, A.; Peeters, F.M.; Liu, Z.; Hinkle, C.L.; Oh, S.-H.; Ye, P.D.; Koester, S.J.; Lee, Y.H.; Avouris, P.; Wang, X.; Low, T.
Title Bandgap engineering of two-dimensional semiconductor materials Type A1 Journal article
Year 2020 Publication npj 2D Materials and Applications Abbreviated Journal
Volume 4 Issue 1 Pages 29-21
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Semiconductors are the basis of many vital technologies such as electronics, computing, communications, optoelectronics, and sensing. Modern semiconductor technology can trace its origins to the invention of the point contact transistor in 1947. This demonstration paved the way for the development of discrete and integrated semiconductor devices and circuits that has helped to build a modern society where semiconductors are ubiquitous components of everyday life. A key property that determines the semiconductor electrical and optical properties is the bandgap. Beyond graphene, recently discovered two-dimensional (2D) materials possess semiconducting bandgaps ranging from the terahertz and mid-infrared in bilayer graphene and black phosphorus, visible in transition metal dichalcogenides, to the ultraviolet in hexagonal boron nitride. In particular, these 2D materials were demonstrated to exhibit highly tunable bandgaps, achieved via the control of layers number, heterostructuring, strain engineering, chemical doping, alloying, intercalation, substrate engineering, as well as an external electric field. We provide a review of the basic physical principles of these various techniques on the engineering of quasi-particle and optical bandgaps, their bandgap tunability, potentials and limitations in practical realization in future 2D device technologies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000565588500001 Publication Date 2020-08-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2397-7132 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 329 Open Access
Notes ; Discussions and interactions with D.R. Reichman, F. Tavazza, N.M.R. Peres, and K. Choudhary are gratefully acknowledged. A.C. acknowledges financial support by CNPq, through the PRONEX/FUNCAP and PQ programs. This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement No. 755655, ERCStG 2017 project 2D-TOPSENSE). Computational support from the Minnesota Supercomputing Institute (MSI) and EU Graphene Flagship funding (Grant Graphene Core 2, 785219) is acknowledged. R.F. acknowledges support from the Netherlands Organization for Scientific Research (NWO) through the research program Rubicon with project number 680-50-1515. D.H., J.Z., and X.W. acknowledge support by National Natural Science Foundation of China 61734003, 61521001, 61704073, 51861145202, and 61851401, and National Key Basic Research Program of China 2015CB921600 and 2018YFB2200500. J.Z. and Z.L. acknowledge support by RG7/18, MOE2017-T2-2-136, MOE2018-T3-1-002, and A*Star QTE program. S.H.S. and Y.H.L. acknowledge the support from IBS-R011-D1. Y.D.K. is supported by Samsung Research and Incubation Funding Center of Samsung Electronics under Project Number SRFC-TB1803-04. S.J.K acknowledges financial support by the National Science Foundation (NSF), under award DMR-1921629. T.L. and J.G.A. acknowledge funding support from NSF/DMREF under Grant Agreement No. 1921629. S.-H.O. acknowledges support from the U.S. National Science Foundation (NSF ECCS 1809723) and Samsung Global Research Outreach (GRO) project. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:172069 Serial 6459
Permanent link to this record
 

 
Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
Title Magnetic order and critical temperature of substitutionally doped transition metal dichalcogenide monolayers Type A1 Journal article
Year 2021 Publication npj 2D Materials and Applications Abbreviated Journal
Volume 5 Issue 1 Pages 54
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Using first-principles calculations, we investigate the magnetic order in two-dimensional (2D) transition-metal-dichalcogenide (TMD) monolayers: MoS2, MoSe2, MoTe2, WSe2, and WS2 substitutionally doped with period four transition-metals (Ti, V, Cr, Mn, Fe, Co, Ni). We uncover five distinct magnetically ordered states among the 35 distinct TMD-dopant pairs: the non-magnetic (NM), the ferromagnetic with out-of-plane spin polarization (Z FM), the out-of-plane polarized clustered FMs (clustered Z FM), the in-plane polarized FMs (X-Y FM), and the anti-ferromagnetic (AFM) state. Ni and Ti dopants result in an NM state for all considered TMDs, while Cr dopants result in an anti-ferromagnetically ordered state for all the TMDs. Most remarkably, we find that Fe, Mn, Co, and V result in an FM ordered state for all the TMDs, except for MoTe2. Finally, we show that V-doped MoSe2 and WSe2, and Mn-doped MoS2, are the most suitable candidates for realizing a room-temperature FM at a 16-18% atomic substitution.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000650635200004 Publication Date 2021-05-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2397-7132 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:179063 Serial 7001
Permanent link to this record
 

 
Author Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Vandenberghe, W.G.
Title Thermodynamic equilibrium theory revealing increased hysteresis in ferroelectric field-effect transistors with free charge accumulation Type A1 Journal article
Year 2021 Publication Communications Physics Abbreviated Journal
Volume 4 Issue 1 Pages 86
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract At the core of the theoretical framework of the ferroelectric field-effect transistor (FeFET) is the thermodynamic principle that one can determine the equilibrium behavior of ferroelectric (FERRO) systems using the appropriate thermodynamic potential. In literature, it is often implicitly assumed, without formal justification, that the Gibbs free energy is the appropriate potential and that the impact of free charge accumulation can be neglected. In this Article, we first formally demonstrate that the Grand Potential is the appropriate thermodynamic potential to analyze the equilibrium behavior of perfectly coherent and uniform FERRO-systems. We demonstrate that the Grand Potential only reduces to the Gibbs free energy for perfectly non-conductive FERRO-systems. Consequently, the Grand Potential is always required for free charge-conducting FERRO-systems. We demonstrate that free charge accumulation at the FERRO interface increases the hysteretic device characteristics. Lastly, a theoretical best-case upper limit for the interface defect density D-FI is identified. The ferroelectric field-effect transistor, which has attracted much attention for application as both a highly energy-efficient logic device and a non-volatile memory device, has often been studied within the framework of equilibrium thermodynamics. Here, the authors theoretically demonstrate the importance of utilizing the correct thermodynamic potential and investigate the impact of free charge accumulation on the equilibrium performance of ferroelectric-based systems.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000645913400001 Publication Date 2021-04-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2399-3650 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:179005 Serial 7031
Permanent link to this record
 

 
Author Hai, G.-Q.; Candido, L.; Brito, B.G.A.; Peeters, F.M.
Title Electron pairing: from metastable electron pair to bipolaron Type A1 Journal article
Year 2018 Publication Journal of physics communications Abbreviated Journal
Volume 2 Issue 3 Pages Unsp 035017
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band.
Address
Corporate Author Thesis
Publisher IOP Publishing Place of Publication Bristol Editor
Language Wos 000434996900022 Publication Date 2018-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2399-6528 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 9 Open Access
Notes ; This work was supported by the Brazilian agencies FAPESP and CNPq. GQH would like to thank Prof. Bangfen Zhu for his invaluable support and expert advice. ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:152079UA @ admin @ c:irua:152079 Serial 5022
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Author Rezvani, S.J.; Perali, A.; Fretto, M.; De Leo, N.; Flammia, L.; Milošević, M.; Nannarone, S.; Pinto, N.
Title Substrate-induced proximity effect in superconducting niobium nanofilms Type A1 Journal article
Year 2018 Publication Condensed Matter Abbreviated Journal
Volume 4 Issue 1 Pages 4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Structural and superconducting properties of high-quality niobium nanofilms with different thicknesses are investigated on silicon oxide (SiO2) and sapphire substrates. The role played by the different substrates and the superconducting properties of the Nb films are discussed based on the defectivity of the films and on the presence of an interfacial oxide layer between the Nb film and the substrate. The X-ray absorption spectroscopy is employed to uncover the structure of the interfacial layer. We show that this interfacial layer leads to a strong proximity effect, especially in films deposited on a SiO2 substrate, altering the superconducting properties of the Nb films. Our results establish that the critical temperature is determined by an interplay between quantum-size effects, due to the reduction of the Nb film thicknesses, and proximity effects. The detailed investigation here provides reference characterizations and has direct and important implications for the fabrication of superconducting devices based on Nb nanofilms.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464289300001 Publication Date 2018-12-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2410-3896 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 3 Open Access
Notes ; This project was financially supported by University of Camerino, FAR project CESEMN. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:159463 Serial 5233
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Author Conti, S.; Neilson, D.; Peeters, F.M.; Perali, A.
Title Transition metal dichalcogenides as strategy for high temperature electron-hole superfluidity Type A1 Journal article
Year 2020 Publication Condensed Matter Abbreviated Journal
Volume 5 Issue 1 Pages 22-12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Condensation of spatially indirect excitons, with the electrons and holes confined in two separate layers, has recently been observed in two different double layer heterostructures. High transition temperatures were reported in a double Transition Metal Dichalcogenide (TMD) monolayer system. We briefly review electron-hole double layer systems that have been proposed as candidates for this interesting phenomenon. We investigate the double TMD system WSe2/hBN/MoSe2, using a mean-field approach that includes multiband effects due to the spin-orbit coupling and self-consistent screening of the electron-hole Coulomb interaction. We demonstrate that the transition temperature observed in the double TMD monolayers, which is remarkably high relative to the other systems, is the result of (i) the large electron and hole effective masses in TMDs, (ii) the large TMD band gaps, and (iii) the presence of multiple superfluid condensates in the TMD system. The net effect is that the superfluidity is strong across a wide range of densities, which leads to high transition temperatures that extend as high as TBKT=150 K.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000523711200017 Publication Date 2020-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2410-3896 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 7 Open Access
Notes ; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl), the Methusalem Foundation and the FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:168658 Serial 6636
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Author Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D.
Title Effect of mismatched electron-hole effective masses on superfluidity in double layer solid-state systems Type A1 Journal article
Year 2021 Publication Condensed Matter Abbreviated Journal
Volume 6 Issue 2 Pages 14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Superfluidity has been predicted and now observed in a number of different electron-hole double-layer semiconductor heterostructures. In some of the heterostructures, such as GaAs and Ge-Si electron-hole double quantum wells, there is a strong mismatch between the electron and hole effective masses. We systematically investigate the sensitivity to unequal masses of the superfluid properties and the self-consistent screening of the electron-hole pairing interaction. We find that the superfluid properties are insensitive to mass imbalance in the low density BEC regime of strongly-coupled boson-like electron-hole pairs. At higher densities, in the BEC-BCS crossover regime of fermionic pairs, we find that mass imbalance between electrons and holes weakens the superfluidity and expands the density range for the BEC-BCS crossover regime. This permits screening to kill the superfluid at a lower density than for equal masses.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000665155800001 Publication Date 2021-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2410-3896 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:179635 Serial 6982
Permanent link to this record
 

 
Author Khalilov, U.; Yusupov, M.; Eshonqulov, Gb.; Neyts, Ec.; Berdiyorov, Gr.
Title Atomic level mechanisms of graphene healing by methane-based plasma radicals Type A1 Journal article
Year 2023 Publication FlatChem Abbreviated Journal FlatChem
Volume 39 Issue Pages 100506
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000990342500001 Publication Date 2023-04-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2452-2627 ISBN Additional Links UA library record; WoS full record
Impact Factor 6.2 Times cited Open Access OpenAccess
Notes U.K., M.Y. and G.B.E. acknowledge the support of the Agency for Innovative Development of the Republic of Uzbekistan (Grant numbers F-FA-2021-512 and FZ-2020092435). The computational resources and services used in this work were partially provided by the HPC core facility CalcUA of the Universiteit Antwerpen and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. Approved Most recent IF: 6.2; 2023 IF: NA
Call Number PLASMANT @ plasmant @c:irua:197442 Serial 8813
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Author Hoat, D.M.; Duy Khanh Nguyen; Bafekry, A.; Vo Van On; Ul Haq, B.; Hoang, D.-Q.; Cocoletzi, G.H.; Rivas-Silva, J.F.
Title Developing feature-rich electronic and magnetic properties in the beta-As monolayer for spintronic and optoelectronic applications by C and Si doping : a first-principles study Type A1 Journal article
Year 2021 Publication Surfaces and interfaces Abbreviated Journal
Volume 27 Issue Pages 101534
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In this work, the carbon (C) and silicon (Si) doping and codoping effects on beta-arsenene (As) monolayer structural, electronic, and magnetic properties have been comprehensively investigated using first-principles calculations. The studied two-dimensional (2D) materials exhibit good stability. Pristine beta-As single layer is an indirect gap semiconductor with a band gap of 1.867(2.441) eV as determined by PBE(HSE06) functional. Due to the difference in atomic size and electronic interactions, C and Si substitution induces a significant local structural distortion. Depending upon dopant concentration and doping sites, feature-rich electronic properties including non-magnetic semiconductor, magnetic semiconductor and half-metallicity may be obtained, which result from p-p interactions. High spin-polarization at the Fermi level vicinity and significant magnetism suggest As:1C, As:2C, As:1Si, As:2Si, and As:CSi systems as prospective spintronic 2D materials. While, the C-C, Si-Si, and C-Si dimer doping decreases electronic band gap, making the layer more suitable for applications in optoelectronic devices. Results presented herein may suggest an efficient approach to create novel multi-functional 2D materials from beta-As monolayer.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000711791100002 Publication Date 2021-10-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2468-0230 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:184138 Serial 6979
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Author Ozdemir, I.; Arkin, H.; Milošević, M.V.; V. Barth, J.; Aktuerk, E.
Title Exploring the adsorption mechanisms of neurotransmitter and amino acid on Ti3C2-MXene monolayer : insights from DFT calculations Type A1 Journal article
Year 2024 Publication Surfaces and interfaces Abbreviated Journal
Volume 46 Issue Pages 104169-9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In this study, we conducted a systematic density functional theory (DFT) investigation of the interaction between Ti3C2-MXene monolayer and biological molecules dopamine (DA) and serine (Ser) as neurotransmitter and amino acid, respectively. Our calculations show good agreement with previous literature findings for the optimized Ti3C2 monolayer. We found that DA and Ser molecules bind to the Ti3C2 surface with adsorption energies of -2.244 eV and -3.960 eV, respectively. The adsorption of Ser resulted in the dissociation of one H atom. Electronic density of states analyses revealed little changes in the electronic properties of the Ti3C2-MXene monolayer upon adsorption of the biomolecules. We further investigated the interaction of DA and Ser with Ti3C2 monolayers featuring surface -termination with OH functional group, and Ti -vacancy. Our calculations indicate that the adsorption energies significantly decrease in the presence of surface termination, with adsorption energies of -0.097 eV and -0.330 eV for DA and Ser, respectively. Adsorption energies on the Ti -vacancy surface, on the other hand, are calculated to be -3.584 eV and -3.856 eV for DA and Ser, respectively. Our results provide insights into the adsorption behavior of biological molecules on Ti3C2-MXene, demonstrating the potential of this material for biosensing and other biomedical applications. These findings highlight the importance of surface modifications in the development of functional materials and devices based on Ti3C2-MXene, and pave the way for future investigations into the use of 2D materials for biomedical applications.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001206950300001 Publication Date 2024-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN (up) 2468-0230 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:205977 Serial 9150
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