|   | 
Details
   web
Records
Author Mobaraki, A.; Kandemir, A.; Yapicioglu, H.; Gulseren, O.; Sevik, C.
Title Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties Type A1 Journal article
Year 2018 Publication Computational materials science Abbreviated Journal
Volume 144 Issue (up) Pages 92-98
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In recent years, transition metal dichalcogenides (TMDs) displaying astonishing properties are emerged as a new class of two-dimensional layered materials. The understanding and characterization of thermal transport in these materials are crucial for efficient engineering of 2D TMD materials for applications such as thermoelectric devices or overcoming general overheating issues. In this work, we obtain accurate Stillinger-Weber type empirical potential parameter sets for single-layer WS2 and WSe2 crystals by utilizing particle swarm optimization, a stochastic search algorithm. For both systems, our results are quite consistent with first-principles calculations in terms of bond distances, lattice parameters, elastic constants and vibrational properties. Using the generated potentials, we investigate the effect of temperature on phonon energies and phonon linewidth by employing spectral energy density analysis. We compare the calculated frequency shift with respect to temperature with corresponding experimental data, clearly demonstrating the accuracy of the generated inter-atomic potentials in this study. Also, we evaluate the lattice thermal conductivities of these materials by means of classical molecular dynamics simulations. The predicted thermal properties are in very good agreement with the ones calculated from first-principles. (C) 2017 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000424902300013 Publication Date 2017-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0256 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:193774 Serial 8729
Permanent link to this record
 

 
Author Conti, S.; Chaves, A.; Pandey, T.; Covaci, L.; Peeters, F.M.; Neilson, D.; Milošević, M.V.
Title Flattening conduction and valence bands for interlayer excitons in a moire MoS₂/WSe₂ heterobilayer Type A1 Journal article
Year 2023 Publication Nanoscale Abbreviated Journal
Volume Issue (up) Pages 1-11
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We explore the flatness of conduction and valence bands of interlayer excitons in MoS2/WSe2 van der Waals heterobilayers, tuned by interlayer twist angle, pressure, and external electric field. We employ an efficient continuum model where the moire pattern from lattice mismatch and/or twisting is represented by an equivalent mesoscopic periodic potential. We demonstrate that the mismatch moire potential is too weak to produce significant flattening. Moreover, we draw attention to the fact that the quasi-particle effective masses around the Gamma-point and the band flattening are reduced with twisting. As an alternative approach, we show (i) that reducing the interlayer distance by uniform vertical pressure can significantly increase the effective mass of the moire hole, and (ii) that the moire depth and its band flattening effects are strongly enhanced by accessible electric gating fields perpendicular to the heterobilayer, with resulting electron and hole effective masses increased by more than an order of magnitude – leading to record-flat bands. These findings impose boundaries on the commonly generalized benefits of moire twistronics, while also revealing alternative feasible routes to achieve truly flat electron and hole bands to carry us to strongly correlated excitonic phenomena on demand.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001047512300001 Publication Date 2023-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.7 Times cited Open Access Not_Open_Access: Available from 25.01.2024
Notes Approved Most recent IF: 6.7; 2023 IF: 7.367
Call Number UA @ admin @ c:irua:198290 Serial 8819
Permanent link to this record
 

 
Author Vizarim, N.P.
Title Dynamic behavior of Skyrmions under the influence of periodic pinning in chiral magnetic infinite thin films Type Doctoral thesis
Year 2023 Publication Abbreviated Journal
Volume Issue (up) Pages 212 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract The miniaturization of transistors for application in new processors and logic devices poses a significant challenge in the field of materials. Spintronics, which relies on controlled movement of magnetic nanostructures, offers a promising solution. Among the candidates, magnetic skyrmions are considered one of the most promising. These chiral spin structures, characterized by topological protection and enhanced stability compared to vortices or magnetic bubbles, have been extensively studied. To advance in the control of skyrmion motion, essential for practical applications, we investigated their dynamic behavior in a two-dimensional chiral magnet at zero temperature. Our study focused on the influence of periodic arrays of pinning centers. The simulations considered skyrmions as point-like particles considering the following interactions: skyrmion-skyrmion interactions, interactions with pinning center arrays, a current of polarized spins, and the Magnus force. We conducted calculations for scenarios involving a single skyrmion as well as different skyrmion density values in the material. The aim was to explore possibilities for controlled skyrmion motion, investigate different dynamic regimes, and examine collective effects. The results demonstrate that by adjusting the size, strength, and density of the pinning centers, we can effectively control the motion of individual skyrmions and manage the flow of multiple skyrmions. Furthermore, we discovered that periodic arrays of pinning centers can facilitate topological selection when different species of skyrmions with distinct Magnus components are present. Employing alternating currents, we observed the significant role of the ratchet effect in the skyrmion dynamics. By fine-tuning the amplitudes of the alternating currents, we achieved direct and controlled motion of skyrmions in specific directions. These findings hold potential for advancing our understanding of skyrmion dynamics and can inspire future technological applications involving these quasi-particles. Overall, we anticipate that our results will be valuable to the scientific community, contributing to a deeper comprehension of skyrmion dynamics and paving the way for future technological applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:198101 Serial 8852
Permanent link to this record
 

 
Author Hassani, H.
Title First-principles study of polarons in WO₃ Type Doctoral thesis
Year 2023 Publication Abbreviated Journal
Volume Issue (up) Pages 181 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract Polarons are quasiparticles emerging in materials from the interaction of extra charge carriers with the surrounding atomic lattice. They appear in a wide va- riety of compounds and can have a profound impact on their properties, making the concept of a polaron a central and ubiquitous topic in material science. Al- though the concept is known for about 75 years, the origin of polarons is not yet fully elucidated. This thesis focuses on WO 3 as a well-known prototypical system for studying polarons, which inherent polaronic nature is linked to its remark- able electrical and chromic properties. The primary objective of this research is to provide a comprehensive atomistic description and understanding of polaron formation in WO 3 using first-principles density functional theory (DFT) calcula- tions. Additionally, the investigation explores the interactions between polarons and the possibility of bipolaron formation. Following a systematic strategy, we first extensively analyze the dielectric and lattice dynamical properties of WO 3 in both the room-temperature P 2 1 /n and ground-state P 2 1 /c phases. Our specific focus is on characterizing the zone-center phonons, which serve as the founda- tion for identifying the phonon modes involved in the polaron formation and charge localization process. Subsequently, we examine the impact of structural distortions on the electronic structure of WO 3 to elucidate the interplay between structural distortions and electronic properties, thereby laying the groundwork for understanding electron-phonon couplings. By incorporating these critical fac- tors, we address our primary research goals. The most common explanation for the polaron formation is associated with the electrostatic screening of the extra charge by the polarizable lattice. Here, we show that, even in ionic crystals, this is not necessarily the case. We demonstrate that polarons in this compound arise primarily from non-polar atomic distortions. We then unveil that this unexpected behavior originates from the undoing of distortive atomic motions, which lowers the bandgap. As such, we coin the name of anti-distortive polaron and validate its appearance through a simple quantum-dot model, in which charge localization is the result of balancing structural, electronic, and confinement energy costs. Then, we also study the polaron-polaron interaction and present the formation of the antiferromagnetic W 4+ bipolaronic state with relatively large formation energy. Our analysis of the W 4+ bipolaronic distortions on the global structure reveals the same behavior as in experiments where the highly distorted monoclinic phase transforms into a tetragonal phase as a function of doping. Additionally, leveraging our previous findings on asymmetric polaronic distortion and examin- ing different merging orientations, we stabilize the antiferromagnetic W 5+ -W 5+ bipolaronic state with an energy lower than the W 4+ state. This thesis clari- fies the formation of unusual medium-size 2D polarons and bipolarons in WO3,which might be relevant to the whole family of ABO 3 perovskites, to which WO 3 is closely related. The simplicity of the concept provides also obvious guidelines for tracking similar behavior in other families of compounds.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:198169 Serial 8868
Permanent link to this record
 

 
Author Hasnat Rubel, A.
Title Theoretical characterization and optimization of nano-engineered superconducting scanning probe tip Type Doctoral thesis
Year 2023 Publication Abbreviated Journal
Volume Issue (up) Pages viii, 145 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Using state-of-the-art simulation methods, we optimized the performance of nanoscale superconducting scanning probe tips for advanced spatial imaging of magnetic fields. The systematic studies of the tips’ static properties as a function of the tilted magnetic field, geometric parameters, and material parameters were carried out. The sensitivity of different superconducting quantum interference devices (SQUIDs) to the magnetic field emanating from the magnetic nanoparticle, where the location of a magnetic nanoparticle is considered below the primary loop's center, was examined as a function of the primary and secondary loop dimensions. The main objective of the research was to characterize and optimize the performance of a nano-sized SQUID-on-tip (SOT) device. Optimal SOT sensitivity was sought, for different loop sizes, arm linewidth, and lead dimensions. Moreover, we revealed that a constriction in the loop arms of the SOT can substantially improve the sensitivity of the device. Finally, the properties of the theta-SOT device were examined in the presence of in-plane and out-of-plane magnetic field components, enabling nanoscale imaging of 3D distributions of the magnetic field. Altogether, the obtained results deliver an engineering solution for the optimum performance of the SOT device in desired conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:199494 Serial 8942
Permanent link to this record
 

 
Author Reyntjens, P.; Van de Put, M.; Vandenberghe, W.G.; Sorée, B.
Title Ultrascaled graphene-capped interconnects : a quantum mechanical study Type P1 Proceeding
Year 2023 Publication Proceedings of the IEEE ... International Interconnect Technology Conference T2 – IEEE International Interconnect Technology Conference (IITC) / IEEE, Materials for Advanced Metallization Conference (MAM), MAY 22-25, 2023, Dresden, Germany Abbreviated Journal
Volume Issue (up) Pages 1-3
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract In this theoretical study, we assess the impact of a graphene capping layer on the resistivity of defective, extremely scaled interconnects. We investigate the effect of graphene capping on the electronic transport in ultrascaled interconnects, in the presence of grain boundary defects in the metal layer. We compare the results obtained using our quantum mechanical model to a simple parallel-conductor model and find that the parallel-conductor model does not capture the effect of the graphene cap correctly. At 0.5 nm metal thickness, the parallel-conductor model underestimates the conductivity by 3.0% to 4.0% for single-sided and double sided graphene capping, respectively.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001027381700006 Publication Date 2023-06-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 979-83-503-1097-9 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:198343 Serial 8949
Permanent link to this record
 

 
Author Hassani, N.; Yagmurcukardes, M.; Peeters, F.M.; Neek-Amal, M.
Title Chlorinated phosphorene for energy application Type A1 Journal article
Year 2024 Publication Computational materials science Abbreviated Journal
Volume 231 Issue (up) Pages 112625-112628
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The influence of decoration with impurities and the composition dependent band gap in 2D materials has been the subject of debate for a long time. Here, by using Density Functional Theory (DFT) calculations, we systematically disclose physical properties of chlorinated phosphorene having the stoichiometry of PmCln. By analyzing the adsorption energy, charge density, migration energy barrier, structural, vibrational, and electronic properties of chlorinated phosphorene, we found that (I) the Cl-P bonds are strong with binding energy Eb =-1.61 eV, decreases with increasing n. (II) Cl atoms on phosphorene have anionic feature, (III) the migration path of Cl on phosphorene is anisotropic with an energy barrier of 0.38 eV, (IV) the phonon band dispersion reveal that chlorinated phosphorenes are stable when r <= 0.25 where r = m/n, (V) chlorinated phosphorenes is found to be a photonic crystal in the frequency range of 280 cm-1 to 325 cm-1, (VI) electronic band structure of chlorinated phosphorenes exhibits quasi-flat bands emerging around the Fermi level with widths in the range of 22 meV to 580 meV, and (VII) Cl adsorption causes a semiconducting to metallic/semi-metallic transition which makes it suitable for application as an electroactive material. To elucidate this application, we investigated the change in binding energy (Eb), specific capacity, and open-circuit voltage as a function of the density of adsorbed Cl. The theoretical storage capacity of the chlorinated phosphorene is found to be 168.19 mA h g-1with a large average voltage (similar to 2.08 V) which is ideal number as a cathode in chloride-ion batteries.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001110003400001 Publication Date 2023-11-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0256 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved no
Call Number UA @ admin @ c:irua:202125 Serial 9008
Permanent link to this record
 

 
Author McLachlan, G.; Majdak, P.; Reijniers, J.; Mihocic, M.; Peremans, H.
Title Dynamic spectral cues do not affect human sound localization during small head movements Type A1 Journal article
Year 2023 Publication Frontiers in neuroscience Abbreviated Journal
Volume 17 Issue (up) Pages 1027827-10
Keywords A1 Journal article; Psychology; Condensed Matter Theory (CMT); Engineering Management (ENM)
Abstract Natural listening involves a constant deployment of small head movement. Spatial listening is facilitated by head movements, especially when resolving front-back confusions, an otherwise common issue during sound localization under head-still conditions. The present study investigated which acoustic cues are utilized by human listeners to localize sounds using small head movements (below ±10° around the center). Seven normal-hearing subjects participated in a sound localization experiment in a virtual reality environment. Four acoustic cue stimulus conditions were presented (full spectrum, flattened spectrum, frozen spectrum, free-field) under three movement conditions (no movement, head rotations over the yaw axis and over the pitch axis). Localization performance was assessed using three metrics: lateral and polar precision error and front-back confusion rate. Analysis through mixed-effects models showed that even small yaw rotations provide a remarkable decrease in front-back confusion rate, whereas pitch rotations did not show much of an effect. Furthermore, MSS cues improved localization performance even in the presence of dITD cues. However, performance was similar between stimuli with and without dMSS cues. This indicates that human listeners utilize the MSS cues before the head moves, but do not rely on dMSS cues to localize sounds when utilizing small head movements.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000938567400001 Publication Date 2023-02-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1662-4548; 1662-453x 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:194507 Serial 9025
Permanent link to this record
 

 
Author Zhou, S.; Xu, W.; Xiao, Y.; Xiao, H.; Zhang, J.; Wang, Z.; He, G.; Liu, J.; Li, Y.; Peeters, F.M.
Title Influence of neutron irradiation on X-ray diffraction, Raman spectrum and photoluminescence from pyrolytic and hot-pressed hexagonal boron nitride Type A1 Journal article
Year 2023 Publication Journal of luminescence Abbreviated Journal
Volume 263 Issue (up) Pages 120118-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Hexagonal boron nitride (hBN) is considered as an ideal semiconductor material for solid-state neutron detector, owing to its large neutron scattering section because of the low atomic number of B and excellent physical properties. Here we study the influence of neutron irradiation on crystal structure and on intermediate energy state (IMES) levels induced by the presence of impurities and defects in hBN. Large-size and thick pyrolytic and hot-pressed hBN (PBN and HBN) samples, which can be directly applied for neutron detector devices, are prepared and bombarded by neutrons with different irradiation fluences. The SEM and TEM are used to observe the sample difference of PBN and HBN. X-ray diffraction and Raman spectroscopy are applied to examine the influence of neutron irradiation on lattice structures along different crystal directions of PBN and HBN samples. Photoluminescence (PL) is employed to study the effect of neutron irradiation on IMESs in these samples. We find that the neutron irradiation does not alter the in-plane lattice structures of both PBN and HBN samples, but it can release the inter-layer tensions induced by sample growth of the PBN samples. Interestingly and surprisingly, the neutron irradiation does not affect the IMES levels responsible for PL generation, where PL is attributed mainly from phonon-assisted radiative electron-hole coupling for both PBN and HBN samples. Furthermore, the results indicate that the neutron irradiation can weaken the effective carrier-phonon coupling and exciton transitions in PBN and HBN samples. Overall, both PBN and HBN samples show some degree of the resistance to neutron irradiation in terms of these basic physical properties. The interesting and important findings from this work can help us to gain an in-depth understanding of the influence of neutron irradiation on basic physical properties of hBN materials. These effects can be taken into account when designing and applying the hBN materials for neutron detectors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001077086300001 Publication Date 2023-08-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2313 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:200393 Serial 9047
Permanent link to this record
 

 
Author Marazzi, E.; Ghojavand, A.; Pirard, J.; Petretto, G.; Charlier, J.-C.; Rignanese, G.-M.
Title Modeling symmetric and defect-free carbon schwarzites into various zeolite templates Type A1 Journal article
Year 2023 Publication Carbon Abbreviated Journal
Volume 215 Issue (up) Pages 118385-118389
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However, the proposed process leads to atomistic models which are not very symmetric and often rather defective. In the present work, an improved generation approach is developed, by imposing symmetry constraints, which systematically leads to defect-free, hence more stable, schwarzites. The stability of the newly predicted symmetric schwarzites is also compared to that of other carbon nanostructures (in particular carbon nanotubes – CNTs), which could also be accommodated within the same templates. Our results suggest that only a few of these (such as FAU, SBT and SBS) can fit schwarzites more stable than CNTs. Our predictions could help experimentalists in the crucial choice of the template for the challenging synthesis of schwarzites. Furthermore, being highly symmetric and stable phases, the models could also be synthesized by means of other experimental procedures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001078649800001 Publication Date 2023-09-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:200314 Serial 9057
Permanent link to this record
 

 
Author Reijniers, J.; Partoens, B.; Peremans, H.
Title Noise-resistant correlation-based alignment of head-related transfer functions for high-fidelity spherical harmonics representation Type P3 Proceeding
Year 2023 Publication Abbreviated Journal
Volume Issue (up) Pages
Keywords P3 Proceeding; Engineering sciences. Technology; Engineering Management (ENM); Condensed Matter Theory (CMT)
Abstract It is standard practice in virtual reality applications to synthesize binaural audio based on a discrete set of directionally-dependent head-related impulse responses (HRIRs). This set of HRIRs is often time-aligned in a pre-processing step, to allow for high-fidelity interpolation between HRIRs corresponding with neighbouring directions. The fidelity of this operation depends on the similarity of neighbouring aligned HRIRs. The pairwise quality of similarity makes it a difficult criterion to optimize globally and consequently one often resorts to alignment methods based on a specific feature that can be extracted for each HRIR separately, e.g., the first-onset of the peak or the group delay. However, such proxies for similarity are very sensitive to noise and therefore require a high signal-to-noise ratio, which makes them less suitable for processing HRIRs acquired outside an anechoic room. In this paper, we advance a novel alignment method, which maximizes the similarity – defined as the correlation between the full-length HRIRs – between neighbouring aligned HRIRs for all directions at once. We show that this correlation-based alignment procedure outperforms the first-onset alignment with regards to the fidelity of the spherical harmonics representation of both the spectral and interaural time difference (ITD) information, when tested on the KEMAR HRIR and six human HRIRs. Finally, we show that the correlation-based alignment is more robust to noise.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:199714 Serial 9062
Permanent link to this record
 

 
Author Li, H.; Pandey, T.; Jiang, Y.; Gu, X.; Lindsay, L.; Koh, Y.K.
Title Origins of heat transport anisotropy in MoTe₂ and other bulk van der Waals materials Type A1 Journal article
Year 2023 Publication Materials Today Physics Abbreviated Journal
Volume 37 Issue (up) Pages 101196-101198
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Knowledge of how heat flows anisotropically in van der Waals (vdW) materials is crucial for thermal management of emerging 2D materials devices and design of novel anisotropic thermoelectric materials. Despite the importance, anisotropic heat transport in vdW materials is yet to be systematically studied and is often presumably attributed to anisotropic speeds of sound in vdW materials due to soft interlayer bonding relative to covalent in-plane networks of atoms. In this work, we investigate the origins of the anisotropic heat transport in vdW materials, through time-domain thermoreflectance (TDTR) measurements and first-principles calculations of anisotropic thermal conductivity of three different phases of MoTe2. MoTe2 is ideal for the study due to its weak anisotropy in the speeds of sound. We find that even when the speeds of sound are roughly isotropic, the measured thermal conductivity of MoTe2 along the c-axis is 5-8 times lower than that along the in-plane axes. We derive meaningful characteristic heat capacity, phonon group velocity, and relaxation times from our first principles calculations for selected vdW materials (MoTe2, BP, h-BN, and MoS2), to assess the contributions of these factors to the anisotropic heat transport. Interestingly, we find that the main contributor to the heat transport anisotropy in vdW materials is anisotropy in heat capacity of the dominant heat-carrying phonon modes in different directions, which originates from anisotropic optical phonon dispersion and disparity in the frequency of heat-carrying phonons in different directions. The discrepancy in frequency of the heat-carrying phonons also leads to similar to 2 times larger average relaxation times in the cross-plane direction, and partially explains the apparent dependence of the anisotropic heat transport on the anisotropic speeds of sound. This work provides insight into understanding of the anisotropic heat transport in vdW materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001093005700001 Publication Date 2023-08-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2542-5293 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:201295 Serial 9070
Permanent link to this record
 

 
Author Deylgat, E.; Chen, E.; Sorée, B.; Vandenberghe, W.G.
Title Quantum transport study of contact resistance of edge- and top-contacted two-dimensional materials Type P1 Proceeding
Year 2023 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2023, Kobe, Japan Abbreviated Journal
Volume Issue (up) Pages 45-48
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract We calculate the contact resistance for an edge- and top-contacted 2D semiconductor. The contact region consists of a metal contacting a monolayer of MoS2 which is otherwise surrounded by SiO2. We use the quantum transmitting boundary method to compute the contact resistance as a function of the 2D semiconductor doping concentration. An effective mass Hamiltonian is used to describe the properties of the various materials. The electrostatic potentials are obtained by solving the Poisson equation numerically. We incorporate the effects of the image-force barrier lowering on the Schottky barrier and examine the impact on the contact resistance. At low doping concentrations, the contact resistance of the top contact is lower compared to edge contact, while at high doping concentrations, the edge contact exhibits lower resistance.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001117703800012 Publication Date 2023-11-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-4-86348-803-8 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:202839 Serial 9079
Permanent link to this record
 

 
Author Souza, J.C.B.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A.
Title Soliton motion induced along ferromagnetic skyrmion chains in chiral thin nanotracks Type A1 Journal article
Year 2023 Publication Journal of magnetism and magnetic materials Abbreviated Journal
Volume 587 Issue (up) Pages 171280-171289
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using atomistic magnetic simulations we investigate the soliton motion along a pinned skyrmion chain containing an interstitial skyrmion. We find that the soliton can exhibit stable motion along the chain without a skyrmion Hall effect for an extended range of drives. Under a constant drive the solitons have a constant velocity. We also measure the skyrmion velocity-current curves and identify the signatures of different phases including a pinned phase, stable soliton motion, and quasi-free motion at higher drives where all of the skyrmions depin from the pinning centers and move along the rigid wall. In the quasi-free motion regime, the velocity is oscillatory due to the motion of the skyrmions over the pinning sites. For increasing pinning strength, the onset of soliton motion shifts to higher values of current density. We also find that for stronger pinning, the characteristic velocity-current shape is affected by the annihilation of single or multiple skyrmions in the drive interval over which the soliton motion occurs. Our results indicate that stable skyrmion soliton motion is possible and that the solitons could be used as information carriers instead of the skyrmions themselves for technological applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001086712600001 Publication Date 2023-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-8853 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:201139 Serial 9095
Permanent link to this record
 

 
Author Xiao, H.; Zhang, Z.; Xu, W.; Wang, Q.; Xiao, Y.; Ding, L.; Huang, J.; Li, H.; He, B.; Peeters, F.M.
Title Terahertz optoelectronic properties of synthetic single crystal diamond Type A1 Journal article
Year 2023 Publication Diamond and related materials Abbreviated Journal
Volume 139 Issue (up) Pages 110266-110268
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A systematic investigation is undertaken for studying the optoelectronic properties of single crystal diamond (SCD) grown by microwave plasma chemical vapor deposition (MPCVD). It is indicated that, without intentional doping and surface treatment during the sample growth, the terahertz (THz) optical conduction in SCD is mainly affected by surface H-terminations, -OH-, O- and N-based functional groups. By using THz time-domain spectroscopy (TDS), we measure the transmittance, the complex dielectric constant and optical conductivity σ(ω) of SCD. We find that SCD does not show typical semiconductor characteristics in THz regime, where σ(ω) cannot be described rightly by the conventional Drude formula. Via fitting the real and imaginary parts of σ(ω) to the Drude-Smith formula, the ratio of the average carrier density to the effective electron mass γ = ne/m*, the electronic relaxation time τ and the electronic backscattering or localization factor can be determined optically. The temperature dependence of these parameters is examined. From the temperature dependence of γ, a metallic to semiconductor transition is observed at about T = 10 K. The temperature dependence of τ is mainly induced by electron coupling with acoustic-phonons and there is a significant effect of photon-induced electron backscattering or localization in SCD. This work demonstrates that THz TDS is a powerful technique in studying SCD which contains H-, N- and O-based bonds and has low electron density and high dc resistivity. The results obtained from this study can benefit us to gain an in-depth understanding of SCD and may provide new guidance for the application of SCD as electronic, optical and optoelectronic materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 2023-08-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-9635 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:200920 Serial 9103
Permanent link to this record
 

 
Author Barbier, M.; Vasilopoulos, P.; Peeters, F.M.; Pereira, J.M.
Title Band structure, density of states, and transmission in graphene bilayer superlattices Type A1 Journal article
Year 2009 Publication AIP conference proceedings Abbreviated Journal
Volume 1199 Issue (up) Pages 547-548
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The energy spectrum and density of states of graphene bilayer superlattices (SLs) are evaluated. We take into account doping and/or gating of the layers as well as tunnel coupling between them. In addition, we evaluate the transmission through such SLs and through single or double barriers. The transmission exhibits a strong dependence on the direction of the incident wave vector.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000281590800258 Publication Date 2010-01-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:84893 Serial 217
Permanent link to this record
 

 
Author Peeters, F.M.; Partoens, B.; Schweigert, V.A.; Schweigert, I.V.
Title Classical atomic bilayers Type H1 Book chapter
Year 1998 Publication Abbreviated Journal
Volume Issue (up) Pages 523-527
Keywords H1 Book chapter; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Plenum Press Place of Publication New York Editor
Language Wos 000083193600095 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:24177 Serial 363
Permanent link to this record
 

 
Author Peeters, F.M.; Vasilopoulos, P.
Title Electrical and thermal properties of a two-dimensional electron gas in a one-dimensional periodic potential Type A1 Journal article
Year 1992 Publication Physical review: B Abbreviated Journal Phys Rev B
Volume 46 Issue (up) Pages 4667-4680
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1992JK72500032 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 148 Open Access
Notes Approved INSTRUMENTS & INSTRUMENTATION 31/56 Q3 # NUCLEAR SCIENCE & TECHNOLOGY 9/32 Q2 # PHYSICS, PARTICLES & FIELDS 24/28 Q4 # SPECTROSCOPY 28/43 Q3 #
Call Number UA @ lucian @ c:irua:2998 Serial 890
Permanent link to this record
 

 
Author Deo, P.S.; Schweigert, V.A.; Peeters, F.M.
Title Hysteresis in mesoscopic superconducting disks: the Bean-Livingston barrier Type A1 Journal article
Year 1999 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 59 Issue (up) Pages 6039-6042
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000079254300016 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 59 Open Access
Notes Approved Most recent IF: 3.836; 1999 IF: NA
Call Number UA @ lucian @ c:irua:24156 Serial 1545
Permanent link to this record
 

 
Author Devreese, J.T.; Verbist, G.; Peeters, F.M.
Title Large bipolarons and high-Tc materials Type H3 Book chapter
Year 1995 Publication Abbreviated Journal
Volume Issue (up) Pages 385-391
Keywords H3 Book chapter; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Cambridge University Press Place of Publication Cambridge Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:11700 Serial 1778
Permanent link to this record
 

 
Author Janssens, K.L.; Peeters, F.M.; Schweigert, V.A.
Title Magnetic field dependence of the properties of excitons confined in a quantum disk Type A1 Journal article
Year 2001 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume 224 Issue (up) Pages 763-768
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000168432100030 Publication Date 2004-11-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972;1521-3951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 1 Open Access
Notes Approved Most recent IF: 1.674; 2001 IF: 0.873
Call Number UA @ lucian @ c:irua:37311 Serial 1872
Permanent link to this record
 

 
Author Deo, P.S.; Schweigert, V.A.; Peeters, F.M.; Geim, A.K.
Title Magnetization of mesoscopic superconducting discs Type A1 Journal article
Year 1997 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 79 Issue (up) Pages 4653-4656
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1997YK36500035 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 165 Open Access
Notes Approved Most recent IF: 8.462; 1997 IF: 6.140
Call Number UA @ lucian @ c:irua:19275 Serial 1896
Permanent link to this record
 

 
Author Deo, P.S.; Peeters, F.M.; Schweigert, V.A.
Title Mesoscopic superconducting disks Type A1 Journal article
Year 1999 Publication Superlattices and microstructures Abbreviated Journal Superlattice Microst
Volume 25 Issue (up) Pages 1195-1211
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000082323800050 Publication Date 2002-09-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0749-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.123 Times cited 22 Open Access
Notes Approved Most recent IF: 2.123; 1999 IF: 0.649
Call Number UA @ lucian @ c:irua:26991 Serial 2001
Permanent link to this record
 

 
Author Ivanov, V.A.; Betouras, J.J.; Peeters, F.M.
Title MgB2 : superconductivity and pressure effects Type P1 Proceeding
Year 2003 Publication Abbreviated Journal
Volume Issue (up) Pages 35-46
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract We present a Ginzburg-Landau theory for a two-band superconductor with emphasis on MgB2. We propose experiments which lead to identification of the possible scenarios: whether both sigma- and pi-bands superconduct or sigma-alone. According to the second scenario a microscopic theory of superconducting MgB2 is proposed based on the strongly interacting or-electrons and non-correlated pi-electrons of boron ions. The kinematic and Coulomb interactions of sigma-electrons provide the superconducting state with an anisotropic gap of s(*)-wave symmetry. The critical temperature T-c has a non-monotonic dependence on the distance r between the centers of gravity of sigma- and pi-bands. The position of MgB2 on a bell-shaped curve T-c (r) is identified in the overdoped region. The derived superconducting density of electronic states is in agreement with available experimental and theoretical data. It is argued that the effects of pressure are crucial to identify the microscopic origin of superconductivity in MgB2. Possibilities for increase of T, are discussed.
Address
Corporate Author Thesis
Publisher Springer Place of Publication Dordrecht Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume 106 Series Issue Edition
ISSN 1-4020-1372-8 ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:94869 Serial 2020
Permanent link to this record
 

 
Author Geim, A.K.; Grigorieva, I.V.; Dubonos, S.V.; Lok, J.G.S.; Maan, J.C.; Filippov, A.E.; Peeters, F.M.
Title Phase transitions in individual sub-micrometre superconductors Type A1 Journal article
Year 1997 Publication Nature Abbreviated Journal Nature
Volume 390 Issue (up) Pages 259-262
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1997YG66700054 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0028-0836; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 40.137 Times cited 370 Open Access
Notes Approved Most recent IF: 40.137; 1997 IF: 27.368
Call Number UA @ lucian @ c:irua:19265 Serial 2595
Permanent link to this record
 

 
Author Peeters, F.M.
Title Semiconductor Type H3 Book chapter
Year 1997 Publication Abbreviated Journal
Volume Issue (up) Pages 350-352
Keywords H3 Book chapter; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher McGraw-Hill Place of Publication New York Editor
Language Wos 000077204000044 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:19308 Serial 2982
Permanent link to this record
 

 
Author Tempère, J.; Vermeyen, E.; Van Duppen, B.
Title Skyrmion rows, vortex rows, and phase slip lines in sheared multi-component condensates Type A1 Journal article
Year 2012 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 479 Issue (up) Pages 61-64
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract When a condensate is sheared by imparting a velocity to a part of the condensate, phase singularities must appear at the interface between the region that is still at rest and the region that has acquired a velocity. For helium, Feynman argued that these phase singularies will arrange themselves in the form of a vortex row. BoseEinstein condensates of ultracold atomic gases differ from helium in that the healing length is generally much larger and is, in fact, tunable. Another difference is that multicomponent condensates can be created, where the two components forming the mixture are usually two different hyperfine states of the condensed atoms. These two components can be manipulated separately and can be interconverted. In this contribution, we investigate how these additional degrees of freedom, available in quantum gases, change what happens in sheared condensates. In particular, we consider skyrmion rows as an alternative to vortex rows, and we also consider phase slip lines filled with the second, unmoving component, in a condensate mixture. We show that depending on the ratios of the interaction strengths between the components, and depending on the shear velocity, skyrmion rows and phase slip lines can become lower in energy than vortex rows, and hence should be observable in quantum gases. Moreover, we find that the velocity field affects the stability region of the condensate with respect to phase separation.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000308580600013 Publication Date 2012-02-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.404 Times cited 1 Open Access
Notes ; This work was supported by the Research Foundation – Flanders (FWO) through Projects G.0356.06, G.0370.09 N, G.0180.09 N, and G.0365.08. E. V. acknowledges financial support in the form of a Ph.D. fellowship of the Research Foundation – Flanders (FWO). ; Approved Most recent IF: 1.404; 2012 IF: 0.718
Call Number UA @ lucian @ c:irua:100617 Serial 3040
Permanent link to this record
 

 
Author Wen, X.; Peeters, F.M.; Devreese, J.T.
Title Streaming-to-accumulation transition in a two-dimensional electron system in a polar semiconductor Type A1 Journal article
Year 1992 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 46 Issue (up) Pages 7571-7580
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1992JQ37800028 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 13 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:2913 Serial 3175
Permanent link to this record
 

 
Author Verbist, G.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T.
Title Strong-coupling analysis of large bipolarons in two and three dimensions Type A1 Journal article
Year 1992 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 45 Issue (up) Pages 5262-5269
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1992HJ68900016 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 68 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:2891 Serial 3179
Permanent link to this record
 

 
Author Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M.
Title Superconducting nanowires: quantum-confinement effect on the critical magnetic field and supercurrent Type P1 Proceeding
Year 2010 Publication Abbreviated Journal
Volume Issue (up) Pages 327-338
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract We study the effect, of electron confinement on the superconducting-to-normal phase transition driven by a magnetic field and/or on the current-carrying state of the superconducting condensate in nanowires. Our investigation is based on a self-consistent. numerical solution of the Bogoliubov-de Gennes equations. We show that, in a parallel magnetic field and/or in the presence of supercurrent the transition from superconducting to normal phase occurs as a cascade of discontinuous jumps in the superconducting order parameter for diameters D < 10 divided by 15 nm at T = 0. The critical magnetic held exhibits quantum-size oscillations with pronounced resonant enhancements.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000278418300025 Publication Date 2010-04-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), Interuni-versity Attraction Poles Programme -Belgian State -Belgian Science Policy (IAP) and the ESF-AQDJJ network. ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:83294 Serial 3361
Permanent link to this record