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Author |
Hassani, H. |
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Title |
First-principles study of polarons in WO₃ |
Type |
Doctoral thesis |
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Year |
2023 |
Publication |
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Pages |
181 p. |
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Doctoral thesis; Condensed Matter Theory (CMT) |
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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. |
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UA @ admin @ c:irua:198169 |
Serial |
8868 |
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Blundo, E.; Faria, P.E., Jr.; Surrente, A.; Pettinari, G.; Prosnikov, M.A.; Olkowska-Pucko, K.; Zollner, K.; Wozniak, T.; Chaves, A.; Kazimierczuk, T.; Felici, M.; Babinski, A.; Molas, M.R.; Christianen, P.C.M.; Fabian, J.; Polimeni, A. |
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Title |
Strain-Induced Exciton Hybridization in WS2 Monolayers Unveiled by Zeeman-Splitting Measurements |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Physical review letters |
Abbreviated Journal |
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Volume |
129 |
Issue |
6 |
Pages |
067402 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Mechanical deformations and ensuing strain are routinely exploited to tune the band gap energy and to enhance the functionalities of two-dimensional crystals. In this Letter, we show that strain leads also to a strong modification of the exciton magnetic moment in WS2 monolayers. Zeeman-splitting measurements under magnetic fields up to 28.5 T were performed on single, one-layer-thick WS2 microbubbles. The strain of the bubbles causes a hybridization of k-space direct and indirect excitons resulting in a sizable decrease in the modulus of they factor of the ground-state exciton. These findings indicate that strain may have major effects on the way the valley number of excitons can be used to process binary information in two-dimensional crystals. |
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000842367600007 |
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2022-08-04 |
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0031-9007; 1079-7114 |
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UA library record; WoS full record; WoS citing articles |
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UA @ admin @ c:irua:198538 |
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8936 |
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Author |
Hasnat Rubel, A. |
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Title |
Theoretical characterization and optimization of nano-engineered superconducting scanning probe tip |
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Doctoral thesis |
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Year |
2023 |
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Pages |
viii, 145 p. |
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Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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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. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:199494 |
Serial |
8942 |
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Author |
Reyntjens, P.; Van de Put, M.; Vandenberghe, W.G.; Sorée, B. |
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Title |
Ultrascaled graphene-capped interconnects : a quantum mechanical study |
Type |
P1 Proceeding |
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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 |
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1-3 |
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P1 Proceeding; Condensed Matter Theory (CMT) |
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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. |
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001027381700006 |
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2023-06-24 |
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979-83-503-1097-9 |
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UA library record; WoS full record |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:198343 |
Serial |
8949 |
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Author |
Jorissen, B.; Covaci, L.; Partoens, B. |
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Title |
Comparative analysis of tight-binding models for transition metal dichalcogenides |
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A1 Journal article |
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Year |
2024 |
Publication |
SciPost physics core |
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7 |
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1 |
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004-30 |
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A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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We provide a comprehensive analysis of the prominent tight-binding (TB) models for transition metal dichalcogenides (TMDs) available in the literature. We inspect the construction of these TB models, discuss their parameterization used and conduct a thorough comparison of their effectiveness in capturing important electronic properties. Based on these insights, we propose a novel TB model for TMDs designed for enhanced computational efficiency. Utilizing MoS2 as a representative case, we explain why specific models offer a more accurate description. Our primary aim is to assist researchers in choosing the most appropriate TB model for their calculations on TMDs. |
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001170769300001 |
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2024-02-06 |
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UA @ admin @ c:irua:202983 |
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9012 |
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Author |
McLachlan, G.; Majdak, P.; Reijniers, J.; Mihocic, M.; Peremans, H. |
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Title |
Dynamic spectral cues do not affect human sound localization during small head movements |
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A1 Journal article |
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Year |
2023 |
Publication |
Frontiers in neuroscience |
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17 |
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1027827-10 |
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A1 Journal article; Psychology; Condensed Matter Theory (CMT); Engineering Management (ENM) |
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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. |
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000938567400001 |
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2023-02-03 |
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1662-4548; 1662-453x |
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UA library record; WoS full record; WoS citing articles |
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Most recent IF: NA |
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UA @ admin @ c:irua:194507 |
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9025 |
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Author |
Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B. |
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Title |
Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides |
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A1 Journal article |
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2023 |
Publication |
ACS applied electronic materials |
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5 |
Issue |
11 |
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5852-5863 |
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A1 Journal article; Condensed Matter Theory (CMT) |
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Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively. |
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001096792500001 |
Publication Date |
2023-10-26 |
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2637-6113 |
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UA library record; WoS full record |
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Most recent IF: NA |
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UA @ admin @ c:irua:201198 |
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9026 |
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Reijniers, J.; Partoens, B.; Peremans, H. |
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Noise-resistant correlation-based alignment of head-related transfer functions for high-fidelity spherical harmonics representation |
Type |
P3 Proceeding |
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Year |
2023 |
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P3 Proceeding; Engineering sciences. Technology; Engineering Management (ENM); Condensed Matter Theory (CMT) |
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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. |
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UA @ admin @ c:irua:199714 |
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9062 |
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Deylgat, E.; Chen, E.; Sorée, B.; Vandenberghe, W.G. |
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Quantum transport study of contact resistance of edge- and top-contacted two-dimensional materials |
Type |
P1 Proceeding |
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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 |
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45-48 |
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P1 Proceeding; Condensed Matter Theory (CMT) |
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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. |
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001117703800012 |
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2023-11-20 |
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978-4-86348-803-8 |
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UA @ admin @ c:irua:202839 |
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9079 |
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Jorissen, B.; Fernandes, L. |
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Simple systems, complicated physics : an interview with Nir Navon |
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Editorial |
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2023 |
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Belgian journal of physics |
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1 |
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6 |
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4-5 |
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Editorial; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
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The EPS Antwerp Young Minds (AYM) invited Prof. Nir Navon (Yale University) to hold a colloquium for the physics department. For an audience of students and researchers, Prof. Navon presented recent advances in ultracold quantum matter and research from his own lab. His experimental work paves the way to make toy models used by theorists a reality. We sat down afterwards to discuss ultracold physics, box traps and setting up a lab from scratch. |
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UA @ admin @ c:irua:202673 |
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9090 |
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Vermeulen, B.B.; Raymenants, E.; Pham, V.T.; Pizzini, S.; Sorée, B.; Wostyn, K.; Couet, S.; Nguyen, V.D.; Temst, K. |
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Towards fully electrically controlled domain-wall logic |
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A1 Journal article |
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Year |
2024 |
Publication |
AIP advances |
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Volume |
14 |
Issue |
2 |
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025030-25035 |
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A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Utilizing magnetic tunnel junctions (MTJs) for write/read and fast spin-orbit-torque (SOT)-driven domain-wall (DW) motion for propagation, enables non-volatile logic and majority operations, representing a breakthrough in the implementation of nanoscale DW logic devices. Recently, current-driven DW logic gates have been demonstrated via magnetic imaging, where the Dzyaloshinskii-Moriya interaction (DMI) induces chiral coupling between perpendicular magnetic anisotropy (PMA) regions via an in-plane (IP) oriented region. However, full electrical operation of nanoscale DW logic requires electrical write/read operations and a method to pattern PMA and IP regions compatible with the fabrication of PMA MTJs. Here, we study the use of a Hybrid Free Layer (HFL) concept to combine an MTJ stack with DW motion materials, and He+ ion irradiation to convert the stack from PMA to IP. First, we investigate the free layer thickness dependence of 100-nm diameter HFL-MTJ devices and find an optimal CoFeB thickness, from 7 to 10 angstrom, providing high tunneling magnetoresistance (TMR) readout and efficient spin-transfer torque (STT) writing. We then show that high DMI materials, like Pt/Co, can be integrated into an MTJ stack via interlayer exchange coupling with the CoFeB free layer. In this design, DMI values suitable for SOT-driven DW motion are measured by asymmetric bubble expansion. Finally, we demonstrate that He+ irradiation reliably converts the coupled free layers from PMA to IP. These findings offer a path toward the integration of fully electrically controlled DW logic circuits. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
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Wos |
001163573400005 |
Publication Date |
2024-02-16 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2158-3226 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
Not_Open_Access |
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| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:203823 |
Serial |
9109 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V. |
|
| |
Title |
Floquet engineering of axion and high-Chern number phases in a topological insulator under illumination |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
SciPost Physics Core |
Abbreviated Journal |
|
|
| |
Volume |
7 |
Issue |
7 |
Pages |
024-16 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Quantum anomalous Hall, high-Chern number, and axion phases in topological insulators are characterized by its Chern invariant C (respectively, C = 1, integer C > 1, and C = 0 with half-quantized Hall conductance of opposite signs on top and bottom surfaces). They are of recent interest because of novel fundamental physics and prospective applications, but identifying and controlling these phases has been challenging in practice. Here we show that these states can be created and switched between in thin films of Bi2Se3 by Floquet engineering, using irradiation by circularly polarized light. We present the calculated phase diagrams of encountered topological phases in Bi2Se3, as a function of wavelength and amplitude of light, as well as sample thickness, after properly taking into account the penetration depth of light and the variation of the gap in the surface states. These findings open pathways towards energy-efficient optoelectronics, advanced sensing, quantum information processing and metrology. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
001217885300001 |
Publication Date |
2024-05-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ admin @ c:irua:205972 |
Serial |
9151 |
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| Permanent link to this record |
| |
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| |
|
Author |
Bogaerts, R.; de Keyser, A.; van Bockstal, L.; van der Burgt, M.; van Esch, A.; Provoost, R.; Silverans, R.; Herlach, F.; Swinnen, B.; van de Stadt, A.F.W.; Koenraad, P.M.; Wolter, J.H.; Karavolas, V.C.; Peeters, F.M.; van de Graaf, W.; Borghs, G. |
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| |
Title |
2D semiconductors at the Leuven pulsed field facility |
Type |
A1 Journal article |
| |
Year |
1997 |
Publication |
Physicalia magazine |
Abbreviated Journal |
|
|
| |
Volume |
19 |
Issue |
|
Pages |
229-239 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
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Place of Publication |
Gent |
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0770-0520 |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:19257 |
Serial |
7 |
|
| Permanent link to this record |
| |
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| |
|
Author |
Nikolaev, A.V.; Michel, K.H. |
|
| |
Title |
Ab initio approach to superexchange interactions in alkali doped fullerides AC60 |
Type |
P1 Proceeding |
| |
Year |
2004 |
Publication |
AIP conference proceedings
T2 – 18th International Winterschool/Euroconference on Electronic Properties, of Novel Materials, MAR 06-JUN 13, 2004, Kirchberg, AUSTRIA |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
393-396 |
|
| |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The superexchange interactions between the fullerenes arise as a result of the electron transfer from the C-60 molecule to the alkali atom and back. We present a scheme, which is a configuration interaction approach based on the valence bond (Heitler-London) method. The effect of superexchange is described together with chemical bonding by constructing and solving a secular equation, rather than by using a perturbation treatment. We have considered 180degrees and 90degrees superexchange for the C-60 Cs-C-60 pathways. The calculations account for unusual electronic properties of polymer orthorhombic and quenched cubic phases of CsC60: two lines in nuclear magnetic resonance experiments, the development of a spin-singlet ground state and a decrease of magnetic susceptibility as T-->0. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York |
Editor |
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| |
Language |
|
Wos |
000224699400085 |
Publication Date |
2004-11-11 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
723 |
Series Issue |
|
Edition |
|
|
| |
ISSN |
0-7354-0204-3 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:103752 |
Serial |
27 |
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| Permanent link to this record |
| |
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| |
|
Author |
Saniz, R.; Vercauteren, S.; Lamoen, D.; Partoens, B.; Barbiellini, B. |
|
| |
Title |
Accurate description of the van der Waals interaction of an electron-positron pair with the surface of a topological insulator |
Type |
P1 Proceeding |
| |
Year |
2014 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
|
|
| |
Volume |
505 |
Issue |
|
Pages |
012002 |
|
| |
Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
| |
Abstract |
Positrons can be trapped in localized states at the surface of a material, and thus quite selectively interact with core or valence surface electrons. Hence, advanced surface positron spectroscopy techniques can present the ideal tools to study a topological insulator, where surface states play a fundamental role. We analyze the problem of a positron at a TI surface, assuming that it is a weakly physisorbed positronium (Ps) atom. To determine if the surface of interest in a material can sustain such a physisorption, an accurate description of the underlying van der Waals (vdW) interaction is essential. We have developed a first-principles parameterfree method, based on the density functional theory, to extract key parameters determining the vdW interaction potential between a Ps atom and the surface of a given material. The method has been successfully applied to quartz and preliminary results on Bi2Te2Se indicate the existence of a positron surface state. We discuss the robustness of our predictions versus the most relevant approximations involved in our approach. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Bristol |
Editor |
|
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| |
Language |
|
Wos |
000338216500002 |
Publication Date |
2014-04-28 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1742-6588;1742-6596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
2 |
Open Access |
|
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| |
Notes |
; We thank A. Weiss for very useful conversations. We acknowledge financial support from FWO-Vlaanderen (projectG.0150.13). This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), adivision of the Flemish Supercomputer Center (VSC), funded by the Hercules foundation and the Flemish Government (EWI Department). B. B. is supported by DOE grants Nos. DE-FG02-07ER46352 and DE-AC02-05CH11231 for theory support at ALS, Berkeley, and a NERSC computer time allocation. ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:118264 |
Serial |
46 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Li, B. |
|
| |
Title |
Aharonov-Bohm effect in semiconductor quantum rings |
Type |
Doctoral thesis |
| |
Year |
2012 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
|
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| |
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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| |
Abstract |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
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| |
Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
|
Edition |
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| |
ISSN |
|
ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:99488 |
Serial |
85 |
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| Permanent link to this record |
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| |
|
Author |
Shanenko, A.A.; Croitoru, M.D.; Mints, R.G.; Peeters, F.M. |
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| |
Title |
Andreev-type states induced by quantum confinement |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques |
Abbreviated Journal |
J Surf Investig-X-Ra |
|
| |
Volume |
2 |
Issue |
4 |
Pages |
611-615 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The properties of a clean superconductor with nanoscale dimensions are governed by quantum confinement of the electrons. This results in a spatially inhomogeneous superconducting condensate and in the formation of new Andreev-type quasiparticle states. These states are mainly located beyond regions where the superconducting condensate is enhanced. A numerical self-consistent solution of the Bogoliubov-de Gennes equations for a cylindrical metallic nanowire shows that these new Andreev-type states decrease the ratio of the energy gap to the critical temperature. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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| |
Language |
|
Wos |
000262864600021 |
Publication Date |
2008-08-09 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1027-4510;1819-7094; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:75991 |
Serial |
113 |
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| Permanent link to this record |
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| |
|
Author |
Masir, M.R.; Vasilopoulos, P.; Matulis, A.; Peeters, F.M. |
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| |
Title |
Angular confinement and direction-dependent transmission in graphene nanostructures with magnetic barriers |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
|
|
| |
Volume |
1199 |
Issue |
|
Pages |
363-364 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We evaluate the transmission through magnetic barriers in graphene-based nanostructures. Several particular cases are considered: a magnetic step, single and double barriers, delta -function barriers as well as barrier structures with inhomogeneous magnetic field profiles but with average magnetic field equal to zero. The transmission exhibits a strong dependence on the direction of the incident wave vector. In general the resonant structure of the transmission is significantly more pronounced for (Dirac) electrons with linear spectrum compared to that for electrons with a parabolic one. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
New York |
Editor |
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| |
Language |
|
Wos |
000281590800171 |
Publication Date |
2010-01-15 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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ISSN |
|
ISBN |
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Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:84892 |
Serial |
115 |
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| Permanent link to this record |
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| |
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Author |
Partoens, B.; Peeters, F.M. |
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| |
Title |
Artificial atoms and molecules |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physicalia magazine |
Abbreviated Journal |
|
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| |
Volume |
24 |
Issue |
|
Pages |
29 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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| |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Gent |
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0770-0520 |
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:62455 |
Serial |
152 |
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| Permanent link to this record |
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| |
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Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M.; Pereira, J.M. |
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| |
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 |
|
Pages |
547-548 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
New York |
Editor |
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| |
Language |
|
Wos |
000281590800258 |
Publication Date |
2010-01-15 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:84893 |
Serial |
217 |
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| Permanent link to this record |
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Author |
Payette, C.; Austing, D.G.; Yu, G.; Gupta, J.A.; Nair, S.V.; Partoens, B.; Amaha, S.; Tarucha, S. |
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| |
Title |
Branch current behavior at two level anti-crossings in vertical quantum dot single-particle spectra |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
|
|
| |
Volume |
1199 |
Issue |
|
Pages |
271-272 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We study single-electron-elastic-resonant-tunneling through two weakly coupled vertical quantum dots and investigate the branch current behavior at anti-crossings between two single-particle energy levels in the constituent dot spectra that are induced to approach each other by application of an out-of-dot-plane magnetic field. We observe both the familiar case of monotonic transfer of the resonant current strengths between the two branches as well as the less familiar case of concurrent enhancement and suppression (ideally complete cancellation) of the resonant current in the two branches. These two situations can be explained in terms of a simple coherent tunneling model. ©2009 American Institute of Physics |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York |
Editor |
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| |
Language |
|
Wos |
000281590800127 |
Publication Date |
2010-01-15 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
|
ISBN |
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Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
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Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:86923 |
Serial |
254 |
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| Permanent link to this record |
| |
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| |
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Author |
Komendová, L. |
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| |
Title |
Characteristic length scales and vortex interactions in two-component superconducting systems |
Type |
Doctoral thesis |
| |
Year |
2013 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
|
Issue |
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Pages |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
|
Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
|
Edition |
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| |
ISSN |
|
ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:112085 |
Serial |
312 |
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| Permanent link to this record |
| |
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| |
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Author |
Austing, D.G.; Payette, C.; Yu, G.; Gupta, J.A.; Aers, G.C.; Nair, S.V.; Partoens, B.; Amaha, S.; Tarucha, S. |
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| |
Title |
Characterization and modeling of single-particle energy levels and resonant currents in a coherent quantum dot mixer |
Type |
P1 Proceeding |
| |
Year |
2011 |
Publication |
AIP conference proceedings
T2 – 30th International Conference on the Physics of Semiconductors (ICPS-30), JUL 25-30, 2010, Seoul, SOUTH KOREA |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
1-2 |
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| |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We characterize and model the single-particle energy level position and resonant current strength at a three-level crossing in a coherent mixer composed of two weakly coupled vertical quantum dots. In addition to clear anticrossing behavior, an otherwise strong resonance is completely extinguished at the center of the crossing. Despite the strong variation in energy level position and resonant current strength throughout the crossing region, the resonance widths and the sum of the branch currents are found to be approximately constant. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
New York |
Editor |
|
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| |
Language |
|
Wos |
000301053000453 |
Publication Date |
2011-12-28 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
1399 |
Series Issue |
|
Edition |
|
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| |
ISSN |
|
ISBN |
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Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
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Times cited |
|
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:113070 |
Serial |
314 |
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| Permanent link to this record |
| |
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| |
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Author |
Peeters, F.M.; Partoens, B.; Schweigert, V.A.; Schweigert, I.V. |
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| |
Title |
Classical atomic bilayers |
Type |
H1 Book chapter |
| |
Year |
1998 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
523-527 |
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| |
Keywords |
H1 Book chapter; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Plenum Press |
Place of Publication |
New York |
Editor |
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| |
Language |
|
Wos |
000083193600095 |
Publication Date |
0000-00-00 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; |
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| |
Impact Factor |
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Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:24177 |
Serial |
363 |
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| Permanent link to this record |
| |
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| |
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Author |
Peeters, F.M.; Partoens, B.; Kong, M. |
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| |
Title |
The classical electron gas in artificial structures |
Type |
P3 Proceeding |
| |
Year |
2004 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
235-250 |
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| |
Keywords |
P3 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
|
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| |
Address |
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Corporate Author |
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Thesis |
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Publisher |
IOS Press |
Place of Publication |
Amsterdam |
Editor |
|
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
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|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
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| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:62457 |
Serial |
365 |
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| Permanent link to this record |
| |
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| |
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Author |
de Backer, J.W.; Vos, W.G.; Germonpré, P.; Salgado, R.; Parizel, P.M.; de Backer, W. |
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| |
Title |
Clinical applications of image-based airway computational fluid dynamics: assessment of inhalation medication and endobronchial devices |
Type |
A3 Journal article |
| |
Year |
2009 |
Publication |
Proceedings of the Society of Photo-optical Instrumentation Engineers |
Abbreviated Journal |
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| |
Volume |
7262 |
Issue |
|
Pages |
72621p,1-72621p,9 |
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| |
Keywords |
A3 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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| |
Abstract |
Computational fluid dynamics (CFD) is a technique that is used increasingly in the biomedical field. Solving the flow equations numerically provides a convenient way to assess the efficiency of therapies and devices, ranging from cardiovascular stents and heart valves to hemodialysis workflows. Also in the respiratory field CFD has gained increasing interest, especially through the combination of three dimensional image reconstruction which results in highend patient-specific models. This paper provides an overview of clinical applications of CFD through image based modeling, resulting from recent studies performed in our center. We focused on two applications: assessment of the efficiency of inhalation medication and analysis of endobronchial valve placement. In the first application we assessed the mode of action of a novel bronchodilator in 10 treated patients and 4 controls. We assessed the local volume increase and resistance change based on the combination of imaging and CFD. We found a good correlation between the changes in volume and resistance coming from the CFD results and the clinical tests. In the second application we assessed the placement and effect of one way endobronchial valves on respiratory function in 6 patients. We found a strong patientspecific result of the therapy where in some patients the therapy resulted in complete atelectasis of the target lobe while in others the lobe remained inflated. We concluded from these applications that CFD can provide a better insight into clinically relevant therapies. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
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Wos |
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Publication Date |
2009-02-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
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ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
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Times cited |
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Open Access |
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:79497 |
Serial |
374 |
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| Permanent link to this record |
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| |
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Author |
Carrillo Nuñez, H. |
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| |
Title |
Combining the modified local density approach with variational calculus : a flexible tandem for studying electron transport in nano-devices |
Type |
Doctoral thesis |
| |
Year |
2012 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
|
Issue |
|
Pages |
|
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| |
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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| |
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Antwerpen |
Editor |
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| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
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ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
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Times cited |
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Open Access |
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:109447 |
Serial |
405 |
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| Permanent link to this record |
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| |
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Author |
Zarenia, M. |
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| |
Title |
Confined states in mono- and bi-layer grapheme nanostructures |
Type |
Doctoral thesis |
| |
Year |
2013 |
Publication |
|
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
|
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
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Times cited |
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Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:108668 |
Serial |
485 |
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| Permanent link to this record |
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Author |
Kapra, A. |
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Title |
Controlling the flux dynamics in superconductors by nanostructured magnetic arrays |
Type |
Doctoral thesis |
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Year |
2013 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
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Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
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Abstract |
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| |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Antwerpen |
Editor |
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| |
Language |
|
Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
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ISBN |
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Additional Links |
UA library record |
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| |
Impact Factor |
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Times cited |
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Open Access |
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:114596 |
Serial |
508 |
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| Permanent link to this record |
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| |
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Author |
Kato, H.; Peeters, F.M. |
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| |
Title |
Correlation between a remote electron and a two-dimensional electron gas in resonant tunneling devices |
Type |
P3 Proceeding |
| |
Year |
2001 |
Publication |
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Abbreviated Journal |
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| |
Volume |
|
Issue |
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Pages |
843-844 |
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Keywords |
P3 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
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| |
Address |
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Corporate Author |
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Thesis |
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Publisher |
Springer |
Place of Publication |
Berlin |
Editor |
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Language |
|
Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
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Edition |
|
|
| |
ISSN |
|
ISBN |
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Additional Links |
UA library record; WoS full record; |
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| |
Impact Factor |
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Times cited |
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Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:37298 |
Serial |
521 |
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| Permanent link to this record |
