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Author Moors, K.; Soree, B.; Tokei, Z.; Magnus, W.
  Title Electron relaxation times and resistivity in metallic nanowires due to tilted grain boundary planes Type P1 Proceeding
  Year 2015 Publication On Ultimate Integration On Silicon (eurosoi-ulis) Abbreviated Journal
  Volume (up) Issue Pages 201-204
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract We calculate the resistivity contribution of tilted grain boundaries with varying parameters in sub-10nm diameter metallic nanowires. The results have been obtained with the Boltzmann transport equation and Fermi's golden rule, retrieving correct state-dependent relaxation times. The standard approximation schemes for the relaxation times are shown to fail when grain boundary tilt is considered. Grain boundaries tilted under the same angle or randomly tilted induce a resistivity decrease.
  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 978-1-4799-6911-1 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:144776 Serial 4651
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Author Verhulst, A.S.; Verreck, D.; Smets, Q.; Kao, K.-H.; Van de Put, M.; Rooyackers, R.; Sorée, B.; Vandooren, A.; De Meyer, K.; Groeseneken, G.; Heyns, M.M.; Mocuta, A.; Collaert, N.; Thean, A.V.-Y.
  Title Perspective of tunnel-FET for future low-power technology nodes Type P1 Proceeding
  Year 2014 Publication 2014 Ieee International Electron Devices Meeting (iedm) Abbreviated Journal
  Volume (up) 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 978-1-4799-8000-0 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:144789 Serial 4679
Permanent link to this record
 

 
Author Mirzakhani, M.
  Title Electronic properties and energy levels of graphene quantum dots Type Doctoral thesis
  Year 2017 Publication Abbreviated Journal
  Volume (up) 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 Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:147179 Serial 4781
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Author Reijniers, J.; Partoens, B.; Peremans, H.
  Title DIY measurement of your personal HRTF at home : low-cost, fast and validated Type P3 Proceeding
  Year 2017 Publication Abbreviated Journal
  Volume (up) Issue Pages 1-5
  Keywords P3 Proceeding; Engineering sciences. Technology; Engineering Management (ENM); Condensed Matter Theory (CMT)
  Abstract <script type='text/javascript'>document.write(unpmarked('The breakthrough of 3D audio has been hampered by the lack of personalized head-related transfer functions (HRTF) required to create realistic 3D audio environments using headphones. In this paper we present a new method for the user to personalize his/her HRTF, similar to the measurement in an anechoic room, yet it is low-cost and can be carried out at home. We compare the resulting HRTFs with those measured in an anechoic room. Subjecting the participants to a virtual localization experiment, we show that they perform significantly better when using their personalized HRTF, compared to a generic HRTF. We believe this method has the potential of opening the way for large scale commercial use of 3D audio through headphones.'));
  Address
  Corporate Author Thesis
  Publisher Audio Engineering Society Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:148068 Serial 4871
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Author Aierken, Y.
  Title First-principles studies of novel two-dimensional materials and their physical properties Type Doctoral thesis
  Year 2017 Publication Abbreviated Journal
  Volume (up) 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 Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:147503 Serial 4874
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 (up) Issue Pages
  Keywords Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Liège Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:149394 Serial 4932
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 (up) 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 Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:151304 Serial 4961
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Author Pourtois, G.; Dabral, A.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Houssa, M.; Collaert, N.; Horiguchi, N.
  Title Probing the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations Type P1 Proceeding
  Year 2017 Publication Semiconductors, Dielectrics, And Metals For Nanoelectronics 15: In Memory Of Samares Kar Abbreviated Journal
  Volume (up) Issue Pages 303-311
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this contribution, we report a fundamental study of the factors that set the contact resistivity between metals and highly doped semiconductors. We investigate the case of n-type doped Si contacted with amorphous TiSi combining first-principles calculations with Non-Equilibrium Green functions transport simulations. The intrinsic contact resistivity is found to saturate at similar to 2x10(-10) Omega.cm(2) with the doping concentration and sets an intrinsic limit to the ultimate contact resistance achievable for n-doped Si vertical bar amorphous-TiSi. This limit arises from the intrinsic properties of the semiconductor and of the metal such as their electron effective masses and Fermi energies. We illustrate that, in this regime, contacting metals with a heavy electron effective mass helps reducing the interface intrinsic contact resistivity.
  Address
  Corporate Author Thesis
  Publisher Electrochemical soc inc Place of Publication Pennington Editor
  Language Wos 000426271800028 Publication Date 2017-10-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume 80 Series Issue 1 Edition
  ISSN 978-1-62332-470-4; 978-1-60768-818-1 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 1 Open Access Not_Open_Access
  Notes ; ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:149966 Serial 4976
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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 (up) 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 Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:149949 Serial 4978
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Author Saberi-Pouya, S.
  Title Many body properties in monolayer and doublelayer black phosphorus Type Doctoral thesis
  Year 2018 Publication Abbreviated Journal
  Volume (up) 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 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 (up) 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 Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:153780 Serial 5106
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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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 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 (up) 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 Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:162525 Serial 5412
Permanent link to this record
 

 
Author Bafekry, A.; Stampfl, C.; Shayesteh, S.F.; Peeters, F.M.
  Title Exploiting the novel electronic and magnetic structure of C3Nvia functionalization and conformation Type A1 Journal article
  Year 2019 Publication Advanced Electronic Materials Abbreviated Journal Adv Electron Mater
  Volume (up) 5 Issue 5 Pages 1900459
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract 2D polyaniline, C3N, is of recent high interest due to its unusual properties and potential use in various technological applications. In this work, through systematic first-principles calculations, the atomic, electronic, and magnetic structure of C3N and the changes induced due to functionalization by the adsorption of hydrogen, oxygen, and fluorine, for different coverages and sites, as well as on formation of nanoribbons including the effect of adsorbed hydrogen and oxygen, and the effect of strain, are investigated. Among other interesting phenomena, for hydrogen adsorption, a semiconductor-to-topological insulator transition, where two Dirac-points appear around the Fermi level, as well as ferromagnetic ordering for both hydrogen and oxygen functionalization, is identified. Considering C3N nanoribbons, adsorption of H leads to significant changes in the electronic properties, such as transforming the structures from semiconductor to metallic. Furthermore, investigating the effect of strain on the physical properties, it is found that the band gap can be significantly altered and controlled. The present findings predict that a wide variation in the magnetic and electronic structure of C3N can be achieved by adatom functionalization and conformation indicating its high potential for use in various technological applications, ranging from catalysis, energy storage, and nanoelectronic devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000486528200001 Publication Date 2019-09-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2199-160x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.193 Times cited 39 Open Access
  Notes ; This work was supported by the FLAG-ERA project 2DTRANS and the Flemish Science Foundation (FWO-Vl). In addition, we acknowledge the OpenMX team for OpenMX code. ; Approved Most recent IF: 4.193
  Call Number UA @ admin @ c:irua:162790 Serial 5414
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 (up) 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 Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:161999 Serial 5424
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 (up) 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 Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:165205 Serial 6315
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