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Author Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Magnus, W.; Collaert, N.; Mocuta, A.; Groeseneken, G.
Title Self-consistent 30-band simulation approach for (non-)uniformly strained confined heterostructure tunnel field-effect transistors Type P1 Proceeding
Year 2017 Publication Simulation of Semiconductor Processes and, Devices (SISPAD)AND DEVICES (SISPAD 2017) Abbreviated Journal
Volume Issue Pages 29-32
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract Heterostructures of III-V materials under a mechanical strain are being actively researched to enhance the performance of the tunnel field-effect transistor (TFET). In scaled III-V device structures, however, the interplay between the effects of strain and quantum confinement on the semiconductor band structure and hence the performance is highly non-trivial. We have therefore developed a computationally efficient quantum mechanical simulator Pharos, which enables self-consistent full-zone k.p-based simulations of III-V TFETs under a general non-uniform strain. We present the self-consistent procedure and demonstrate it on confined staggered bandgap GaAs0.5Sb0.5/In0.53Ga0.47As TFETs. We find a large performance degradation due to size-induced quantum confinement compared to non-confined devices. We show that some performance can be regained either by applying a uniform biaxial tensile strain or through the non-uniform strain profile at a lattice-mismatched heterostructure.
Address
Corporate Author Thesis
Publisher Ieee Place of Publication New york Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-4-86348-610-2 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes (down) Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:149949 Serial 4978
Permanent link to this record
 

 
Author Saberi-Pouya, S.
Title Many body properties in monolayer and doublelayer black phosphorus Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen 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 (down) Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:151744 Serial 5032
Permanent link to this record
 

 
Author Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Groeseneken, G.
Title Impact of calibrated band-tails on the subthreshold swing of pocketed TFETs Type P1 Proceeding
Year 2018 Publication Conference digest T2 – 76th Device Research Conference (DRC), JUN 24-27, 2018, Santa Barbara, CA Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Ieee Place of Publication New york Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-5386-3028-0 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes (down) Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:153780 Serial 5106
Permanent link to this record
 

 
Author Callewaert, V.
Title Development and application of a non-local theory for the description of positron surface states Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen 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 (down) Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:155688 Serial 5089
Permanent link to this record
 

 
Author de Aquino, B.R.C.H.T.
Title Carbon nanotubes and graphene based devices : from nanosensors to confined water Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen 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 (down) Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:154838 Serial 5081
Permanent link to this record
 

 
Author Bekaert, J.
Title Ab initio description of multicomponent superconductivity in bulk to atomically thin materials Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 290 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:151304 Serial 5192
Permanent link to this record
 

 
Author de Aquino, B.R.C.H.T.
Title Carbon nanotubes and graphene based devices : from nanosensors to confined water Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 161 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:154838 Serial 5197
Permanent link to this record
 

 
Author Mulkers, J.
Title Confinement phenomena in chiral ferromagnetic films Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 156 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:156461 Serial 5200
Permanent link to this record
 

 
Author Callewaert, V.
Title Development and application of a non-local theory for the description of positron surface states Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 151 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:155688 Serial 5204
Permanent link to this record
 

 
Author Flammia, L.
Title Emergent phenomena in nanostructured quantum-confined superconducting films Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 172 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:158197 Serial 5208
Permanent link to this record
 

 
Author Jelić, Ž.
Title Emergent vortex phenomena in spatially and temporally modulated superconducting condensates Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 181 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:149394 Serial 5209
Permanent link to this record
 

 
Author Ribeiro Gomes, R.
Title The first order equations for the Ginzburg-Landau theory and the vortex states near a permalloy disk Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 220 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:152233 Serial 5213
Permanent link to this record
 

 
Author Li, L.
Title First-principles studies of novel two-dimensional dirac materials Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 152 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:160527 Serial 5214
Permanent link to this record
 

 
Author Ghorbanfekr Kalashami, H.
Title Graphene-based membranes and nanoconfined water : molecular dynamics simulation study Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 243 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:160548 Serial 5216
Permanent link to this record
 

 
Author Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Groeseneken, G.
Title Impact of calibrated band-tails on the subthreshold swing of pocketed TFETs Type P1 Proceeding
Year 2018 Publication Conference digest T2 – 76th Device Research Conference (DRC), JUN 24-27, 2018, Santa Barbara, CA Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000444728400086 Publication Date 2018-09-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-5386-3028-0 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:153780 Serial 5217
Permanent link to this record
 

 
Author Kaintura, A.; Foss, K.; Couckuyt, I.; Dhaene, T.; Zografos, O.; Vaysset, A.; Sorée, B.
Title Machine Learning for Fast Characterization of Magnetic Logic Devices Type P1 Proceeding
Year 2018 Publication (edaps 2018) Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract Non-charge-based logic devices are promising candidates for future logic circuits. Interest in studying and developing these devices has grown dramatically in the past decade as they possess key advantages over conventional CMOS technology. Due to their novel designs, a large number of micromagnetic simulations are required to fully characterize the behavior of these devices. The number and complexity of these simulations place large computational requirements on device development. We use state-of-the-art machine learning techniques to expedite identification of their behavior. Several intelligent sampling strategies are combined with machine learning multi-class classification models. These techniques are applied to a recently developed exchange-driven magnetic logic scheme that utilizes direct exchange coupling as the main driver.
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 978-1-5386-6592-3 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:160484 Serial 5219
Permanent link to this record
 

 
Author Saberi-Pouya, S.
Title Many body properties in monolayer and doublelayer black phosphorus Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 148 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:151744 Serial 5220
Permanent link to this record
 

 
Author Domingos, J.L.C.
Title Study of colloidal systems of anisotropic magnetic particles Type Doctoral thesis
Year 2018 Publication Abbreviated Journal
Volume Issue Pages 114 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:152284 Serial 5232
Permanent link to this record
 

 
Author Van der Donck, M.
Title Excitonic complexes in transition metal dichalcogenides and related materials Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 224 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:162525 Serial 5412
Permanent link to this record
 

 
Author Vieira De Castro, L.
Title Properties of quasi particles on two dimensional materials and related structures Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 79 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:161999 Serial 5424
Permanent link to this record
 

 
Author Wang, Z.; Wang, Y.B.; Yin, J.; Tovari, E.; Yang, Y.; Lin, L.; Holwill, M.; Birkbeck, J.; Perello, D.J.; Xu, S.; Zultak, J.; Gorbachev, R.V.; Kretinin, A.V.; Taniguchi, T.; Watanabe, K.; Morozov, S.V.; Andelkovic, M.; Milovanović, S.P.; Covaci, L.; Peeters, F.M.; Mishchenko, A.; Geim, A.K.; Novoselov, K.S.; Fal'ko, V.I.; Knothe, A.; Woods, C.R.
Title Composite super-moiré lattices in double-aligned graphene heterostructures = Composite super-moire lattices in double-aligned graphene heterostructures Type A1 Journal article
Year 2019 Publication Science Advances Abbreviated Journal
Volume 5 Issue 12 Pages eaay8897
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract When two-dimensional (2D) atomic crystals are brought into close proximity to form a van der Waals heterostructure, neighbouring crystals may influence each other's properties. Of particular interest is when the two crystals closely match and a moire pattern forms, resulting in modified electronic and excitonic spectra, crystal reconstruction, and more. Thus, moire patterns are a viable tool for controlling the properties of 2D materials. However, the difference in periodicity of the two crystals limits the reconstruction and, thus, is a barrier to the low-energy regime. Here, we present a route to spectrum reconstruction at all energies. By using graphene which is aligned to two hexagonal boron nitride layers, one can make electrons scatter in the differential moire pattern which results in spectral changes at arbitrarily low energies. Further, we demonstrate that the strength of this potential relies crucially on the atomic reconstruction of graphene within the differential moire super cell.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000505069600089 Publication Date 2019-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2375-2548 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 71 Open Access
Notes (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:165754 Serial 6289
Permanent link to this record
 

 
Author Zarenia, M.; Conti, S.; Peeters, F.M.; Neilson, D.
Title Coulomb drag in strongly coupled quantum wells : temperature dependence of the many-body correlations Type A1 Journal article
Year 2019 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 115 Issue 20 Pages 202105
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the effect of the temperature dependence of many-body correlations on hole-hole Coulomb drag in strongly coupled GaAs/GaAlAs double quantum wells. For arbitrary temperatures, we obtained the correlations using the classical-map hypernetted-chain approach. We compare the temperature dependence of the resulting drag resistivities rho D(T) at different densities with rho D(T) calculated assuming correlations fixed at zero temperature. Comparing the results with those when correlations are completely neglected, we confirm that correlations significantly increase the drag. We find that the drag becomes sensitive to the temperature dependence of T greater than or similar to 2TF, twice the Fermi temperature. Our results show excellent agreement with available experimental data. Published under license by AIP Publishing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000498619400007 Publication Date 2019-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 2 Open Access
Notes (down) Approved Most recent IF: 3.411
Call Number UA @ admin @ c:irua:165135 Serial 6291
Permanent link to this record
 

 
Author Bizindavyi, J.; Verhulst, A.S.; Verreck, D.; Sorée, B.; Groeseneken, G.
Title Large variation in temperature dependence of band-to-band tunneling current in tunnel devices Type A1 Journal article
Year 2019 Publication IEEE electron device letters Abbreviated Journal Ieee Electr Device L
Volume 40 Issue 11 Pages 1864-1867
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The observation of a significant temperature-dependent variation in the ${I}$ – ${V}$ characteristics of tunneling devices is often interpreted as a signature of a trap-assisted-tunneling dominated current. In this letter, we use a ballistic 2D quantum-mechanical simulator, calibrated using the measured temperature-dependent ${I}$ – ${V}$ characteristics of Esaki diodes, to demonstrate that the temperature dependence of band-to-band tunneling (BTBT) current can vary significantly in both Esaki diodes and tunnel FETs. The variation of BTBT current with temperature is impacted by doping concentration, gate voltage, possible presence of a highly-doped pocket at the tunnel junction, and material.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000496192600040 Publication Date 2019-09-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0741-3106 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.048 Times cited Open Access
Notes (down) Approved Most recent IF: 3.048
Call Number UA @ admin @ c:irua:164636 Serial 6306
Permanent link to this record
 

 
Author Anđelković, M.
Title O(N) numerical methods for investigating graphene heterostructures and moiré patterns Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 207 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:165205 Serial 6315
Permanent link to this record
 

 
Author Xue, C.; He, A.; Milošević, M.V.; Silhanek, A., V; Zhou, Y.-H.
Title Open circuit voltage generated by dragging superconducting vortices with a dynamic pinning potential Type A1 Journal article
Year 2019 Publication New journal of physics Abbreviated Journal New J Phys
Volume 21 Issue 11 Pages 113044
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We theoretically investigate, through Ginzburg?Landau simulations, the possibility to induce an open circuit voltage in absence of applied current, by dragging superconducting vortices with a dynamic pinning array as for instance that created by a nearby sliding vortex lattice or moving laser spots. Different dynamic regimes, such as synchronous vortex motion or dynamic vortex chains consisting of laggard vortices, can be observed by varying the velocity of the sliding pinning potential and the applied magnetic field. Additionally, due to the edge barrier, significantly different induced voltage is found depending on whether the vortices are dragged along the superconducting strip or perpendicular to the lateral edges. The output voltage in the proposed mesoscopic superconducting dynamo can be tuned by varying size, density and directions of the sliding pinning potential.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000498853700001 Publication Date 2019-11-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited 6 Open Access
Notes (down) Approved Most recent IF: 3.786
Call Number UA @ admin @ c:irua:165158 Serial 6317
Permanent link to this record
 

 
Author Bafekry, A.; Shayesteh, S.F.; Ghergherehchi, M.; Peeters, F.M.
Title Tuning the bandgap and introducing magnetism into monolayer BC3 by strain/defect engineering and adatom/molecule adsorption Type A1 Journal article
Year 2019 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 126 Issue 14 Pages 144304
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using first-principles calculations, we study the structural, electronic, and optical properties of pristine BC3. Our results show that BC3 is a semiconductor which can be useful in optoelectronic device applications. Furthermore, we found that the electronic properties of BC3 can be modified by strain and the type of edge states. With increasing thickness, the indirect bandgap decreases from 0.7 eV (monolayer) to 0.27 eV (bulk). Upon uniaxial tensile strain along the armchair and zigzag directions, the bandgap slightly decreases, and with increasing uniaxial strain, the bandgap decreases, and when reaching -8%, a semiconductor-to-metal transition occurs. By contrast, under biaxial strain, the bandgap increases to 1.2 eV in +8% and decreases to zero in -8%. BC3 nanoribbons with different widths exhibit magnetism at the zigzag edges, while, at the armchair edges, they become semiconductor, and the bandgap is in the range of 1.0-1.2 eV. Moreover, we systematically investigated the effects of adatoms/molecule adsorption and defects on the structural, electronic, and magnetic properties of BC3. The adsorption of various adatoms and molecules as well as topological defects (vacancies and Stone-Wales defects) can modify the electronic properties. Using these methods, one can tune BC3 into a metal, half-metal, ferromagnetic-metal, and dilute-magnetic semiconductor or preserve its semiconducting character. Published under license by AIP Publishing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000503995300019 Publication Date 2019-10-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 56 Open Access
Notes (down) Approved Most recent IF: 2.068
Call Number UA @ admin @ c:irua:165160 Serial 6328
Permanent link to this record
 

 
Author Bafekry, A.; Shayesteh, S.F.; Peeters, F.M.
Title Two-dimensional carbon nitride (2DCN) nanosheets : tuning of novel electronic and magnetic properties by hydrogenation, atom substitution and defect engineering Type A1 Journal article
Year 2019 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 126 Issue 21 Pages 215104
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By employing first-principles calculations within the framework of density functional theory, we investigated the structural, electronic, and magnetic properties of graphene and various two-dimensional carbon-nitride (2DNC) nanosheets. The different 2DCN gives rise to diverse electronic properties such as metals (C3N2), semimetals (C4N and C9N4), half-metals (C4N3), ferromagnetic-metals (C9N7), semiconductors (C2N, C3N, C3N4, C6N6, and C6N8), spin-glass semiconductors (C10N9 and C14N12), and insulators (C2N2). Furthermore, the effects of adsorption and substitution of hydrogen atoms as well as N-vacancy defects on the electronic and magnetic properties are systematically studied. The introduction of point defects, including N vacancies, interstitial H impurity into graphene and different 2DCN crystals, results in very different band structures. Defect engineering leads to the discovery of potentially exotic properties that make 2DCN interesting for future investigations and emerging technological applications with precisely tailored properties. These properties can be useful for applications in various fields such as catalysis, energy storage, nanoelectronic devices, spintronics, optoelectronics, and nanosensors. Published under license by AIP Publishing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000504007300023 Publication Date 2019-12-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 70 Open Access
Notes (down) Approved Most recent IF: 2.068
Call Number UA @ admin @ c:irua:165733 Serial 6329
Permanent link to this record
 

 
Author Eren, I.; Ozen, S.; Sozen, Y.; Yagmurcukardes, M.; Sahin, H.
Title Vertical van der Waals heterostructure of single layer InSe and SiGe Type A1 Journal article
Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 123 Issue 51 Pages 31232-31237
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We present a first-principles investigation on the stability, electronic structure, and mechanical response of ultrathin heterostructures composed of single layers of InSe and SiGe. First, by performing total energy optimization and phonon calculations, we show that single layers of InSe and SiGe can form dynamically stable heterostructures in 12 different stacking types. Valence and conduction band edges of the heterobilayers form a type-I heterojunction having a tiny band gap ranging between 0.09 and 0.48 eV. Calculations on elastic-stiffness tensor reveal that two mechanically soft single layers form a heterostructure which is stiffer than the constituent layers because of relatively strong interlayer interaction. Moreover, phonon analysis shows that the bilayer heterostructure has highly Raman active modes at 205.3 and 43.7 cm(-1), stemming from the out-of-plane interlayer mode and layer breathing mode, respectively. Our results show that, as a stable type-I heterojunction, ultrathin heterobilayer of InSe/SiGe holds promise for nanoscale device applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000505632900050 Publication Date 2019-12-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited Open Access
Notes (down) Approved Most recent IF: 4.536
Call Number UA @ admin @ c:irua:165718 Serial 6332
Permanent link to this record
 

 
Author Bafekry, A.
Title Investigation of the effects of defects and impurities on nanostructures consisting of Group IV and V elements using First-principles calculations Type Doctoral thesis
Year 2020 Publication Abbreviated Journal
Volume Issue Pages 126 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:168738 Serial 6554
Permanent link to this record
 

 
Author Conti, S.
Title Multi-band superfluidity and BEC-BCS crossover in novel ultrathin materials Type Doctoral thesis
Year 2020 Publication Abbreviated Journal
Volume Issue Pages 123 p.
Keywords Doctoral thesis; Sociology; History; Condensed Matter Theory (CMT)
Abstract
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 (down) Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:169036 Serial 6565
Permanent link to this record