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Author Neek-Amal, M.; Peeters, F.M. doi  openurl
  Title Defected graphene nanoribbons under axial compression Type A1 Journal article
  Year 2010 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 97 Issue 15 Pages (down) 153118,1-153118,3  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The buckling of defected rectangular graphene nanoribbons when subjected to axial stress with supported boundary conditions is investigated using atomistic simulations. The buckling strain and mechanical stiffness of monolayer graphene decrease with the percentage of randomly distributed vacancies. The elasticity to plasticity transition in the stress-strain curve, at low percentage of vacancies, are found to be almost equal to the buckling strain thresholds and they decrease with increasing percentage of vacancies.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000283216900069 Publication Date 2010-10-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 43 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (WO-Vl) and the Belgian Science Policy (IAP) ; Approved Most recent IF: 3.411; 2010 IF: 3.841  
  Call Number UA @ lucian @ c:irua:85789 Serial 624  
Permanent link to this record
 

 
Author Yayak, Y.O.; Sozen, Y.; Tan, F.; Gungen, D.; Gao, Q.; Kang, J.; Yagmurcukardes, M.; Sahin, H. pdf  doi
openurl 
  Title First-principles investigation of structural, Raman and electronic characteristics of single layer Ge3N4 Type A1 Journal article
  Year 2022 Publication Applied surface science Abbreviated Journal Appl Surf Sci  
  Volume 572 Issue Pages (down) 151361  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By means of density functional theory-based first-principle calculations, the structural, vibrational and electronic properties of single-layer Ge3N4 are investigated. Structural optimizations and phonon band dispersions reveal that single-layer ultrathin form of Ge3N4 possesses a dynamically stable buckled structure with large hexagonal holes. Predicted Raman spectrum of single-layer Ge3N4 indicates that the buckled holey structure of the material exhibits distinctive vibrational features. Electronic band dispersion calculations indicate the indirect band gap semiconducting nature of single-layer Ge3N4. It is also proposed that single-layer Ge3N4 forms type-II vertical heterostructures with various planar and puckered 2D materials except for single-layer GeSe which gives rise to a type-I band alignment. Moreover, the electronic properties of single-layer Ge3N4 are investigated under applied external in-plane strain. It is shown that while the indirect gap behavior of Ge3N4 is unchanged by the applied strain, the energy band gap increases (decreases) with tensile (compressive) strain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000723664000006 Publication Date 2021-10-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.7  
  Call Number UA @ admin @ c:irua:184752 Serial 6993  
Permanent link to this record
 

 
Author Sargin, G.O.; Sarikurt, S.; Sevincli, H.; Sevik, C. pdf  url
doi  openurl
  Title The peculiar potential of transition metal dichalcogenides for thermoelectric applications : a perspective on future computational research Type A1 Journal article
  Year 2023 Publication Journal of applied physics Abbreviated Journal  
  Volume 133 Issue 15 Pages (down) 150902-150937  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The peculiar potential transition metal dichalcogenides in regard to sensor and device applications have been exhibited by both experimental and theoretical studies. The use of these materials, thermodynamically stable even at elevated temperatures, particularly in nano- and optoelectronic technology, is about to come true. On the other hand, the distinct electronic and thermal transport properties possessing unique coherency, which may result in higher thermoelectric efficiency, have also been reported. However, exploiting this potential in terms of power generation and cooling applications requires a deeper understanding of these materials in this regard. This perspective study, concentrated with this intention, summarizes thermoelectric research based on transition metal dichalcogenides from a broad perspective and also provides a general evaluation of future theoretical investigations inevitable to shed more light on the physics of electronic and thermal transport in these materials and to lead future experimental research.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001079329000001 Publication Date 2023-04-27  
  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 Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:200351 Serial 9105  
Permanent link to this record
 

 
Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Ziabari, A.A.; Khatibani, A.B.; Feghhi, S.A.H.; Ghergherehchi, M.; Gogova, D. pdf  doi
openurl 
  Title Adsorption of habitat and industry-relevant molecules on the MoSi₂N₄ monolayer Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 564 Issue Pages (down) 150326  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The adsorption of various environmental gas molecules, including H-2, N-2, CO, CO2, O-2, NO, NO2, SO2 H2O, H2S, NH3 and CH4, on the surface of the recently synthesized two dimensional MoSi2N4 (MSN) monolayer has been investigated by means of spin-polarized first-principles calculations. The most stable adsorption configuration, adsorption energy, and charge transfer have been computed. Due to the weak interaction between molecules studied with the MSN monolayer surface, the adsorption energy is small and does not yield any significant distortion of the MSN lattice, i.e., the interaction between the molecules and MSN monolayer surface is physisorption. We find that all molecules are physisorbed on the MSM surface with small charge transfer, acting as either charge acceptors or donors. The MSN monolayer is a semiconductor with an indirect band gap of 1.79 eV. Our theoretical estimations reveal that upon adsorption of H-2, N-2, CO, CO2, NO, H2O, H2S, NH3 and CH4 molecules, the semiconducting character of MSN monolayer is preserved and the band gap value is decreased to similar to 1.5 eV. However, the electronic properties of the MSN monolayer can be significantly altered by adsorption of O-2, NO and SO2, and a spin polarization with magnetic moments of 2, 1, 2 mu(B), respectively, can be introduced. Furthermore, we demonstrate that the band gap and the magnetic moment of adsorbed MSN monolayer can be significantly modulated by the concentration of NO and SO2 molecules. As the concentration of NO2 molecule increases, the magnetic moment increase from 1 mu(B) to 2 and 3 mu(B). In the case of the SO2 molecule with increasing of concentration, the band gap decreases from 1.2 eV to 1.1 and 0.9 eV. Obviously, our theoretical studies indicate that MSN monolayer-based sensor has a high application potential for O-2, NO, NO2 and SO2 detection.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000675534500002 Publication Date 2021-06-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:180421 Serial 6970  
Permanent link to this record
 

 
Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Khatibani, A.B.; Ziabari, A. abdolahzadeh; Ghergherehchi, M.; Nedaei, S.; Shayesteh, S.F.; Gogova, D. pdf  url
doi  openurl
  Title Tunable electronic and magnetic properties of MoSi₂N₄ monolayer via vacancy defects, atomic adsorption and atomic doping Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 559 Issue Pages (down) 149862  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The two dimensional MoSi2N4 (MSN) monolayer exhibiting rich physical and chemical properties was synthesized for the first time last year. We have used the spin-polarized density functional theory to study the effect of different types of point defects on the structural, electronic, and magnetic properties of the MSN monolayer. Adsorbed, substitutionally doped (at different lattice sites), and some kind of vacancies have been considered as point defects. The computational results show all defects studied decrease the MSN monolayer band gap. We found out the H-, O-, and P-doped MSN are n-type conductors. The arsenic-doped MSN, and MSN with vacancy defects have a magnetic moment. The MSN with a Si vacancy defect is a half-metallic which is favorable for spintronic applications, while the MSN with a single N vacancy or double vacancy (N + S) defects are metallic, i. e., beneficial as spin filters and chemical sensors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000655645300001 Publication Date 2021-05-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:179098 Serial 7038  
Permanent link to this record
 

 
Author Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M.; Kim, D.; Mortazavi, B. pdf  doi
openurl 
  Title Electro-optical and mechanical properties of Zinc antimonide (ZnSb) monolayer and bilayer : a first-principles study Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 540 Issue 1 Pages (down) 148289  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Latest synthesis of ZnSb monolayer, encouraged us to conduct density functional theory (DFT) simulations in order to study the structural, magnetic, electronic/optical and mechanical features of the sp2-hybridized honeycomb ZnSb monolayer (ML-ZnSb) and bilayer (BL-ZnSb). Our structural optimizations reveal that ML-ZnSb is an anisotropic hexagonal structure while BL-ZnSb is composed of shifted ZnSb layers which are covalently binded. ML-ZnSb is found to be a ferromagnetic metal, in contrast BL-ZnSb has a non-magnetic indirect band gap semiconducting ground state. For the in-plane polarization, first absorption peak of ML-ZnSb and BL-ZnSb confirm the absorbance of the light within the infrared domain wand visible range, respectively. Moreover, our results reveal that the layer-layer chemical bonding in BL-ZnSb significantly enhances the mechanical response of ML-ZnSb whose in-plane stiness is the smallest among all 2D materials (2DM). Notably, the strong in-plane anisotropy of ML-ZnSb in its stiness reduces in BL-ZnSb.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000599883200005 Publication Date 2020-11-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited 1 Open Access Not_Open_Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). Computational resources were provided by the Flemish Supercomputer Center (VSC). M.Y. is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. B.M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germanys Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ; Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:174956 Serial 6688  
Permanent link to this record
 

 
Author Kahraman, Z.; Baskurt, M.; Yagmurcukardes, M.; Chaves, A.; Sahin, H. pdf  doi
openurl 
  Title Stable Janus TaSe₂ single-layers via surface functionalization Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 538 Issue Pages (down) 148064  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract First-principles calculations are performed in order to investigate the formation of Janus structures of single layer TaSe2. The structural optimizations and phonon band dispersions reveal that the formation and stability of hydrogenated (HTaSe2), fluorinated (FTaSe2), and the one-side hydrogenated and one-side fluorinated (Janus-HTaSe2F) single-layers are feasible in terms of their phonon band dispersions. It is shown that bare metallic single-layer TaSe2 can be turned into a semiconductor as only one of its surface is functionalized while it remains as a metal via its two surfaces functionalization. In addition, the semiconducting nature of single-layers HTaSe2 and FTaSe2 and the metallic behavior of Janus TaSe2 are found to be robust under applied uniaxal strains. Further analysis on piezoelectric properties of the predicted single-layers reveal the enhanced in-plane and out of-plane piezoelectricity via formed Janus-HTaSe2F. Our study indicates that single-layer TaSe2 is a suitable host material for surface functionalization via fluorination and hydrogenation which exhibit distinctive electronic and vibrational properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000595860900001 Publication Date 2020-10-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access Not_Open_Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). HS acknowledges support from Turkiye Bilimler Akademisi -Turkish Academy of Sciences under the GEBIP program. This work was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:174964 Serial 6699  
Permanent link to this record
 

 
Author Foumani, A.A.; Forster, D.J.; Ghorbanfekr, H.; Weber, R.; Graf, T.; Niknam, A.R. pdf  doi
openurl 
  Title Atomistic simulation of ultra-short pulsed laser ablation of metals with single and double pulses : an investigation of the re-deposition phenomenon Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 537 Issue Pages (down) 147775  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The demand for higher throughput in the processing of materials with ultra-short pulsed lasers has motivated studies on the use of double pulses (DP). It has been observed in such studies that at relatively high time delays between the two pulses, the ablated volume is lower than that for a single pulse (SP). This has been attributed to the shielding of the second pulse and the re-deposition of the material removed by the first pulse. The investigation of re-deposition in copper with the aid of atomistic simulations is the main objective of this study. Nevertheless, a computational investigation of SP-ablation and experimental measurement of the SP-ablation depths and threshold fluence are also covered. The applied computational apparatus comprises a combination of molecular dynamics with the two-temperature model and the Helmholtz wave equation. The analysis of the simulation results shows that the derived quantities like the SP-ablation threshold fluence and the ratio of DP ablation depth to SP-ablation depth are in agreement with the experimental values. An important finding of this study is that the characteristics of the re-deposition process are highly dependent on the fluence.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000582798700006 Publication Date 2020-09-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited 2 Open Access Not_Open_Access  
  Notes ; The authors thank the Center for High-Performance Computing at Shahid Beheshti University of Iran (SARMAD) for making available the computational resources required for this work. ; Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:174299 Serial 6683  
Permanent link to this record
 

 
Author Obeid, M.M.; Bafekry, A.; Rehman, S.U.; Nguyen, C., V. pdf  doi
openurl 
  Title A type-II GaSe/HfS₂ van der Waals heterostructure as promising photocatalyst with high carrier mobility Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 534 Issue Pages (down) 147607  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this paper, the electronic, optical, and photocatalytic properties of GaSe/HfS2 heterostructure are studied via first-principles calculations. The stability of the vertically stacked heterobilayers is validated by the binding energy, phonon spectrum, and ab initio molecular dynamics simulation. The results reveal that the most stable GaSe/HfS2 heterobilayer retains a type-II alignment with an indirect bandgap 1.40 eV. As well, the results also show strong optical absorption intensity in the studied heterostructure (1.8 x 10(5) cm(-1)). The calculated hole mobility is 1376 cm(2) V-1 s(-1), while electron mobility reaches 911 cm(2) V-1 s(-1) along the armchair and zigzag directions. By applying an external electric field, the bandgap and band offset of the designed heterostructure can be effectively modified. Remarkably, a stronger external electric field can create nearly free electron states in the vicinity of the bottom of the conduction band, which induces indirect-to-direct bandgap transition as well as a semiconductor-to-metal transition. In contrast, the electronic properties of GaSe/HfS2 heterostructure are predicted to be insensitive to biaxial strain. The current work reveals that GaSe/HfS2 heterostructure is a promising candidate as a novel photocatalytic material for hydrogen generation in the visible range.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000582367700045 Publication Date 2020-08-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited 4 Open Access  
  Notes ; ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:174301 Serial 6682  
Permanent link to this record
 

 
Author Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. url  doi
openurl 
  Title Mesoscopic field and current compensator based on a hybrid superconductor-ferromagnet structure Type A1 Journal article
  Year 2005 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 95 Issue Pages (down) 147004,1-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000232229800059 Publication Date 2005-09-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 44 Open Access  
  Notes Approved Most recent IF: 8.462; 2005 IF: 7.489  
  Call Number UA @ lucian @ c:irua:57244 Serial 1999  
Permanent link to this record
 

 
Author Grigorieva, I.V.; Escoffier, W.; Misko, V.R.; Baelus, B.J.; Peeters, F.; Vinnikov, L.Y.; Dubonos, S.V. url  doi
openurl 
  Title Pinning-induced formation of vortex clusters and giant vortices in mesoscopic superconducting disks Type A1 Journal article
  Year 2007 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 99 Issue 14 Pages (down) 147003,1-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000249974000059 Publication Date 2007-10-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 75 Open Access  
  Notes Approved Most recent IF: 8.462; 2007 IF: 6.944  
  Call Number UA @ lucian @ c:irua:66681 Serial 2625  
Permanent link to this record
 

 
Author González-García, A.; López-Pérez, W.; González-Hernández, R.; Bacaksiz, C.; Šabani, D.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Transition-metal adatoms on 2D-GaAs: a route to chiral magnetic 2D materials by design Type A1 Journal article
  Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 14 Pages (down) 145803  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using relativistic density-functional calculations, we examine the magneto-crystalline anisotropy and exchange properties of transition-metal atoms adsorbed on 2D-GaAs. We show that single Mn and Mo atom (Co and Os) strongly bind on 2D-GaAs, and induce local out-of-plane (in-plane) magnetic anisotropy. When a pair of TM atoms is adsorbed on 2D-GaAs in a close range from each other, magnetisation properties change (become tunable) with respect to concentrations and ordering of the adatoms. In all cases, we reveal presence of strong Dzyaloshinskii–Moriya interaction. These results indicate novel pathways towards two-dimensional chiral magnetic materials by design, tailored for desired applications in magneto-electronics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000626453600001 Publication Date 2021-04-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.649 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 2.649  
  Call Number CMT @ cmt @c:irua:177483 Serial 6755  
Permanent link to this record
 

 
Author Gonzalez-Garcia, A.; Lopez-Perez, W.; Gonzalez-Hernandez, R.; Rivera-Julio, J.; Espejo, C.; Milošević, M.V.; Peeters, F.M. pdf  url
doi  openurl
  Title Two-dimensional hydrogenated buckled gallium arsenide: an ab initio study Type A1 Journal article
  Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 32 Issue 14 Pages (down) 145502  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract First-principles calculations have been carried out to investigate the stability, structural and electronic properties of two-dimensional (2D) hydrogenated GaAs with three possible geometries: chair, zigzag-line and boat configurations. The effect of van der Waals interactions on 2D H-GaAs systems has also been studied. These configurations were found to be energetic and dynamic stable, as well as having a semiconducting character. Although 2D GaAs adsorbed with H tends to form a zigzag-line configuration, the energy differences between chair, zigzag-line and boat are very small which implies the metastability of the system. Chair and boat configurations display a – direct bandgap nature, while pristine 2D-GaAs and zigzag-line are indirect semiconductors. The bandgap sizes of all configurations are also hydrogen dependent, and wider than that of pristine 2D-GaAs with both PBE and HSE functionals. Even though DFT-vdW interactions increase the adsorption energies and reduce the equilibrium distances of H-GaAs systems, it presents, qualitatively, the same physical results on the stability and electronic properties of our studied systems with PBE functional. According to our results, 2D buckled gallium arsenide is a good candidate to be synthesized by hydrogen surface passivation as its group III-V partners 2D buckled gallium nitride and boron nitride. The hydrogenation of 2D-GaAs tunes the bandgap of pristine 2D-GaAs, which makes it a potential candidate for optoelectronic applications in the blue and violet ranges of the visible electromagnetic spectrum.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000507894400001 Publication Date 2019-12-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.7 Times cited Open Access  
  Notes ; This work has been carried out by the financial support of Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en Ciencias Basicas, ano 2015, Cod: 121571250192, Contrato 110-216. The authors gratefully acknowledge the support from the High Performance Computing core facility CalcUA and the TOPBOF project at the University of Antwerp, Belgium; and the computing time granted on the supercomputer Mogon at Johannes Gutenberg University Mainz (hpc.uni-mainz.de). ; Approved Most recent IF: 2.7; 2020 IF: 2.649  
  Call Number UA @ admin @ c:irua:165644 Serial 6330  
Permanent link to this record
 

 
Author Baskurt, M.; Eren, I.; Yagmurcukardes, M.; Sahin, H. pdf  doi
openurl 
  Title Vanadium dopant- and strain-dependent magnetic properties of single-layer VI₃ Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 508 Issue Pages (down) 144937-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by the recent synthesis of two-dimensional VI3 [Kong et al. Adv. Mater. 31, 1808074 (2019)], we investigate the effect of V doping on the magnetic and electronic properties of monolayer VI3 by means of first-principles calculations. The dynamically stable semiconducting ferromagnetic (FM) and antiferromagnetic (AFM) phases of monolayer VI3 are found to display distinctive vibrational features that the magnetic state can be distinguished by Raman spectroscopy. In order to clarify the effect of experimentally observed excessive V atoms, the magnetic and electronic properties of the V-doped VI3 structures are analyzed. Our findings indicate that partially doped VI3 structures display FM ground state while the fully-doped structure exhibits AFM ground state. The fully-doped monolayer VI3 is found to be a semiconductor with a relatively larger band gap than its pristine structure. In addition, strain-dependent electronic and magnetic properties of fully- and partially-doped VI3 structures reveal that pristine monolayer displays a FM-to-AFM phase transition with robust semiconducting nature for 5% of compressive strain, while fully-doped monolayer VI3 structure possesses AFM-to-FM semiconducting transition at tensile strains larger than 4%. In contrast, the partially-doped VI3 monolayers are found to display robust FM ground state under biaxial strain. Its dopant and strain tunable electronic and magnetic nature makes monolayer VI3 a promising material for applications in nanoscale spintronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000516818700040 Publication Date 2019-12-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited 10 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:168595 Serial 6652  
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Author Cabral, L.R.E.; Baelus, B.J.; Peeters, F.M. url  doi
openurl 
  Title From vortex molecules to the Abrikosov lattice in thin mesoscopic superconducting disks Type A1 Journal article
  Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 70 Issue Pages (down) 144523,1-16  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000224855600084 Publication Date 2004-10-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 71 Open Access  
  Notes Approved Most recent IF: 3.836; 2004 IF: 3.075  
  Call Number UA @ lucian @ c:irua:69392 Serial 1291  
Permanent link to this record
 

 
Author Baelus, B.J.; Peeters, F.M.; Schweigert, V.A. doi  openurl
  Title Saddle point states and energy barriers for vortex entrance and exit in superconducting disks and rings Type A1 Journal article
  Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 63 Issue Pages (down) 144517  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000168059800097 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 86 Open Access  
  Notes Approved Most recent IF: 3.836; 2001 IF: NA  
  Call Number UA @ lucian @ c:irua:37294 Serial 2938  
Permanent link to this record
 

 
Author Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D. url  doi
openurl 
  Title Multicomponent screening and superfluidity in gapped electron-hole double bilayer graphene with realistic bands Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 99 Issue 14 Pages (down) 144517  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Superfluidity has recently been reported in double electron-hole bilayer graphene. The multiband nature of the bilayers is important because of the very small band gaps between conduction and valence bands. The long-range nature of the superfluid pairing interaction means that screening must be fully taken into account. We have carried out a systematic mean-field investigation that includes (i) contributions to screening from both intraband and interband excitations, (ii) the low-energy band structure of bilayer graphene with its small band gap and flattened Mexican-hat-like low-energy bands, (iii) the large density of states at the bottom of the bands, (iv) electron-hole pairing in the multibands, and (v) electron-hole pair transfers between the conduction and valence band condensates. We find that the superfluidity strongly modifies the intraband contributions to the screening, but that the interband contributions are unaffected. Unexpectedly, a net effect of the screening is to suppress Josephson-like pair transfers and to confine the superfluid pairing entirely to the conduction-band condensate even for very small band gaps, making the system behave similarly to a one-band superfluid.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000465160000004 Publication Date 2019-04-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 13 Open Access  
  Notes ; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl) and the Methusalem Foundation. We thank Mohammad Zarenia and Alfredo VargasParedes for useful discussions. ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:159332 Serial 5221  
Permanent link to this record
 

 
Author Lipavsky, P.; Elmurodov, A.; Lin, P.-J.; Matlock, P.; Berdiyorov, G.R. url  doi
openurl 
  Title Effect of normal current corrections on the vortex dynamics in type-II superconductors Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 14 Pages (down) 144516-144518  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Within the time-dependent Ginzburg-Landau theory we discuss the effect of nonmagnetic interactions between the normal current and supercurrent in the presence of electric and magnetic fields. The correction due to the current-current interactions is shown to have a transient character so that it contributes only when a system evolves. Numerical studies for thin current-carrying superconducting strips with no magnetic feedback show that the effect of the normal current corrections is more pronounced in the resistive state where fast-moving kinematic vortices are formed. Simulations also reveal that the largest contribution due to current-current interactions appears near the sample edges, where the vortices reach their maximal velocity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309809700007 Publication Date 2012-10-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 4 Open Access  
  Notes ; The authors are grateful to Alex Gurevich and Tom Lemberger who brought the longitudinal f-sum rule to our attention. This work was supported by Grants GACR P204/10/0687 and P204/11/0015. We also acknowledge the support from the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). G.R.B. acknowledges individual support from FWO-Vl. P.-J.L. acknowledges support from Old Dominion University. P.M. acknowledges support through UA research index SR-614-1203. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:102168 Serial 827  
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Author Vagov, A.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M. url  doi
openurl 
  Title Two-band superconductors : extended Ginzburg-Landau formalism by a systematic expansion in small deviation from the critical temperature Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 14 Pages (down) 144514  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We derive the extended Ginzburg-Landau (GL) formalism for a clean s-wave two-band superconductor by employing a systematic expansion of the free-energy functional and the corresponding matrix gap equation in powers of the small deviation from the critical temperature tau = 1 – T/T-c. The two lowest orders of this expansion produce the equation for T-c and the standard GL theory. It is shown that in agreement with previous studies, this two-band GL theory maps onto the single-band GL model and thus fails to describe the difference in the spatial profiles of the two-band condensates. We prove that this difference appears already in the leading correction to the standard GL theory, which constitutes the extended GL formalism. We derive linear differential equations that determine the leading corrections to the band order parameters and magnetic field, discuss the validity of these equations, and consider examples of an important interplay between the band condensates. Finally, we present numerical results for the thermodynamic critical magnetic field and temperature-dependent band gaps for recent materials of interest, which are in very good agreement with those obtained from the full BCS approach in a wide temperature range. To this end, we emphasize the advantages of our extended GL theory in comparison with the often used two-component GL-like model based on an unreconstructed two-band generalization of the Gor'kov derivation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309776800001 Publication Date 2012-10-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 44 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). Authors are indebted to Y. Singh and R. Prozorov for discussions and for providing recent experimental data. A. V. is grateful to W. Pesch for stimulating discussions and critical comments on this work. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:101798 Serial 3769  
Permanent link to this record
 

 
Author Clem, J.R.; Mawatari, Y.; Berdiyorov, G.R.; Peeters, F.M. url  doi
openurl 
  Title Predicted field-dependent increase of critical currents in asymmetric superconducting nanocircuits Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue 14 Pages (down) 144511-144511,16  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The critical current of a thin superconducting strip of width W much larger than the Ginzburg-Landau coherence length xi but much smaller than the Pearl length Lambda = 2 lambda(2)/d is maximized when the strip is straight with defect-free edges. When a perpendicular magnetic field is applied to a long straight strip, the critical current initially decreases linearly with H but then decreases more slowly with H when vortices or antivortices are forced into the strip. However, in a superconducting strip containing sharp 90 degrees or 180 degrees turns, the zero-field critical current at H = 0 is reduced because vortices or antivortices are preferentially nucleated at the inner corners of the turns, where current crowding occurs. Using both analytic London-model calculations and time-dependent Ginzburg-Landau simulations, we predict that in such asymmetric strips the resulting critical current can be increased by applying a perpendicular magnetic field that induces a current-density contribution opposing the applied current density at the inner corners. This effect should apply to all turns that bend in the same direction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000302611100004 Publication Date 2012-04-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 40 Open Access  
  Notes ; This research, supported in part by the US Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering, was performed in part at the Ames Laboratory, which is operated for the US Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This work also was supported in part by the Flemish Science Foundation (FWO-Vlaanderen) and the Belgian Science Policy (IAP). G.R.B. acknowledges individual support from FWO-Vlaanderen. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:98263 Serial 2695  
Permanent link to this record
 

 
Author Lin, N.S.; Heitmann, T.W.; Yu, K.; Plourde, B.L.T.; Misko, V.R. url  doi
openurl 
  Title Rectification of vortex motion in a circular ratchet channel Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 84 Issue 14 Pages (down) 144511-144511,12  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the dynamics of vortices in an asymmetric (i.e., consisting of triangular cells) ring channel driven by an external ac current I in a Corbino setup. The asymmetric potential rectifies the motion of vortices and induces a net vortex flow without any unbiased external drive, i.e., the ratchet effect. We show that the net flow of vortices strongly depends on vortex density and frequency of the driving current. Depending on the density, we distinguish a single-vortex rectification regime (for low density, when each vortex is rectified individually) determined by the potential-energy landscape inside each cell of the channel (i.e., hard and easy directions) and multi-vortex, or collective, rectification (high-density case) when the inter-vortex interaction becomes important. We analyze the average angular velocity ω of vortices as a function of I and study commensurability effects between the numbers of vortices and cells in the channel and the role of frequency of the applied ac current. We have shown that the commensurability effect results in a stepwise ω-I curve. Besides the integer steps, i.e., the large steps found in the single-vortex case, we also found fractional steps corresponding to fractional ratios between the numbers of vortices and triangular cells. We have performed preliminary measurements on a device containing a single weak-pinning circular ratchet channel in a Corbino geometry and observed a substantial asymmetric vortex response.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000295795500010 Publication Date 2011-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 27 Open Access  
  Notes ; We thank Peter Kes and Marcel Hesselberth for providing the superconducting films from which the Corbino ratchet sample was fabricated. This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl), the Interuniversity Attraction Poles (IAP) Programme-Belgian State-Belgian Science Policy, and the FWO-Vl (Belgium). T. W. H., K.Y., and B. L. T. P acknowledge support from the National Science Foundation under Grant DMR-0547147 as well as the use of the Cornell NanoScale Facility, a member of the National Nanotechnology Infrastructure Network, which is supported by the National Science Foundation (Grant ECS-0335765). ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:92809 Serial 2848  
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Author Yampolskii, S.V.; Baelus, B.J.; Peeters, F.M.; Kolá·ek, J. doi  openurl
  Title Vortex charge in mesoscopic superconductors Type A1 Journal article
  Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 64 Issue Pages (down) 144511  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000171530000084 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 14 Open Access  
  Notes Approved Most recent IF: 3.836; 2001 IF: NA  
  Call Number UA @ lucian @ c:irua:37282 Serial 3861  
Permanent link to this record
 

 
Author Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Vortices induced in a superconducting loop by asymmetric kinetic inductance and their detection in transport measurements Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 81 Issue 14 Pages (down) 144511,1-144511,5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using time-dependent Ginzburg-Landau theory, we study the dynamic properties of a rectangular superconducting loop, which are found to depend on the position of the current leads. For asymmetric positioning of the leads, different kinetic inductance of the two paths for injected electric current leads to different critical conditions in the two branches. System self-regulates by allowing vortex entry, as vortex currents bring equilibration between the two current flows and the conventional resistive state can be realized. We also demonstrate that individual vortex entry in the loop can be detected by measuring the voltage between normal-metal leads, for applied currents comparable in magnitude to the screening currents.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000277210200107 Publication Date 2010-04-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 18 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the ESF-NES program, and the ESF-AQDJJ network. G.R.B. acknowledges support from FWO-Vlaanderen. The authors thank S. Michotte for useful discussions. ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:82804 Serial 3901  
Permanent link to this record
 

 
Author Xu, B.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Magnetic properties of vortex states in spherical superconductors Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 77 Issue 14 Pages (down) 144509,1-9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000255457300077 Publication Date 2008-04-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 36 Open Access  
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:68845 Serial 1888  
Permanent link to this record
 

 
Author Bekaert, J.; Vercauteren, S.; Aperis, A.; Komendová, L.; Prozorov, R.; Partoens, B.; Milošević, M.V. url  doi
openurl 
  Title Anisotropic type-I superconductivity and anomalous superfluid density in OsB2 Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 94 Pages (down) 144506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a microscopic study of superconductivity in OsB2 , and discuss the origin and characteristic length

scales of the superconducting state. From first-principles we show that OsB2 is characterized by three different

Fermi sheets, and we prove that this fermiology complies with recent quantum-oscillation experiments. Using the

found microscopic properties, and experimental data from the literature, we employ Ginzburg-Landau relations

to reveal that OsB2 is a distinctly type-I superconductor with a very low Ginzburg-Landau parameter κ—a rare

property among compound materials. We show that the found coherence length and penetration depth corroborate

the measured thermodynamic critical field. Moreover, our calculation of the superconducting gap structure using

anisotropic Eliashberg theory and ab initio calculated electron-phonon interaction as input reveals a single but

anisotropic gap. The calculated gap spectrum is shown to give an excellent account for the unconventional

behavior of the superfluid density of OsB2 measured in experiments as a function of temperature. This reveals

that gap anisotropy can explain such behavior, observed in several compounds, which was previously attributed

solely to a two-gap nature of superconductivity.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000385622500009 Publication Date 2016-10-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 19 Open Access  
  Notes Fonds Wetenschappelijk Onderzoek; European Cooperation in Science and Technology, MP1201 ; Vetenskapsrådet; Approved Most recent IF: 3.836  
  Call Number CMT @ cmt @ c:irua:139020 Serial 4338  
Permanent link to this record
 

 
Author Saniz, R.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Green function approach to superconductivity in nanowires Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue 14 Pages (down) 144504-144504,7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Superconductivity in nanowires made of weak coupling superconductor materials is investigated using a Green function approach. We show that these are multigap systems in which the ratio Delta(T)/k(B)T(c) is to a large extent similar to what is observed in some high-T-c two-gap systems, such as MgB2 and some of the Fe-based superconductors. On the other hand, because of confinement, the superfluid density has a temperature behavior of the form n(s)(T) = 1 – (T/T-c)(3) near T-c, thus deviating from the BCS behavior for bulk superconductors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000302290700006 Publication Date 2012-04-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 1 Open Access  
  Notes ; This work was supported by FWO-Vl and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:97764 Serial 1381  
Permanent link to this record
 

 
Author Zha, G.-Q.; Milošević, M.V.; Zhou, S.-P.; Peeters, F.M. url  doi
openurl 
  Title Magnetic flux periodicity in mesoscopic d-wave symmetric and asymmetric superconducting loops Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 80 Issue 14 Pages (down) 144501,1-144501,5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The magnetic flux dependence of energy and supercurrent in mesoscopic d-wave symmetric and asymmetric superconducting loops is investigated by numerically solving the Bogoliubov-de Gennes equations self-consistently. For square loops, we find an hc/e-flux periodicity in energy and supercurrent and demonstrate that the flux periodicity is sensitive to the hole size and the superconducting pairing strength as well as temperature. The hc/2e-periodic behavior can be restored almost entirely when we displace the central hole sufficiently out of the center of the sample. In rectangular loops, the discrete current-carrying low-energy spectrum can exist for an odd winding number of the order parameter.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000271351500085 Publication Date 2009-10-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 13 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:79994 Serial 1879  
Permanent link to this record
 

 
Author Zhang, L.-F.; Covaci, L.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. url  doi
openurl 
  Title Vortex states in nanoscale superconducting squares : the influence of quantum confinement Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue 14 Pages (down) 144501  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Bogoliubov-de Gennes theory is used to investigate the effect of the size of a superconducting square on the vortex states in the quantum confinement regime. When the superconducting coherence length is comparable to the Fermi wavelength, the shape resonances of the superconducting order parameter have strong influence on the vortex configuration. Several unconventional vortex states, including asymmetric ones, giant-multivortex combinations, and states comprising giant antivortices, were found as ground states and their stability was found to be very sensitive on the value of k(F)xi(0), the size of the sample W, and the magnetic flux Phi. By increasing the temperature and/or enlarging the size of the sample, quantum confinement is suppressed and the conventional mesoscopic vortex states as predicted by the Ginzburg-Laudau (GL) theory are recovered. However, contrary to the GL results we found that the states containing symmetry-induced vortex-antivortex pairs are stable over the whole temperature range. It turns out that the inhomogeneous order parameter induced by quantum confinement favors vortex-antivortex molecules, as well as giant vortices with a rich structure in the vortex core-unattainable in the GL domain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000325498300004 Publication Date 2013-10-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 19 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and Methusalem Funding of the Flemish government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:111145 Serial 3891  
Permanent link to this record
 

 
Author Bafekry, A.; Akgenc, B.; Shayesteh, S.F.; Mortazavi, B. pdf  url
doi  openurl
  Title Tunable electronic and magnetic properties of graphene/carbon-nitride van der Waals heterostructures Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 505 Issue Pages (down) 144450-144459  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this paper, we explore the electronic properties of C3N, C3N4 and C4N3 and graphene (Gr) van der Waals heterostructures by conducing extensive first-principles calculations. The acquired results show that these heterostructures can show diverse electronic properties, such as the metal (Gr on C3N), semiconductor with narrow band gap (Gr on C3N4) and ferromagnetic-metal (Gr on C4N3). We furthermore explored the effect of vacancies, atom substitution, topological, antisite and Stone-Wales defects on the structural and electronic properties of considered heterostructures. Our results show that the vacancy defects introduce localized states near the Fermi level and create a local magnetic moment. The Gr/C3N heterostructures with the single and double vacancy defects exhibit a ferromagnetic-metal, while Stone-Wales defects show an indirect semiconductor with the band gap of 0.2 eV. The effects of adsorption and insertion of O, C, Be, Cr, Fe and Co atoms on the electronic properties of Gr/C3N have been also elaborately studied. Our results highlight that the electronic and magnetic properties of garphene/carbon-nitride lateral heterostructures can be effectively modified by point defects and impurities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000510846500052 Publication Date 2019-11-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited 26 Open Access  
  Notes ; ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:167732 Serial 6638  
Permanent link to this record
 

 
Author Mulkers, J.; Van Waeyenberge, B.; Milošević, M.V. url  doi
openurl 
  Title Effects of spatially engineered Dzyaloshinskii-Moriya interaction in ferromagnetic films Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages (down) 144401  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The Dzyaloshinskii-Moriya interaction (DMI) is a chiral interaction that favors formation of domain walls. Recent experiments and ab initio calculations show that there are multiple ways to modify the strength of the interfacially induced DMI in thin ferromagnetic films with perpendicular magnetic anisotropy. In this paper we reveal theoretically the effects of spatially varied DMI on the magnetic state in thin films. In such heterochiral 2D structures we report several emergent phenomena, ranging from the equilibrium spin canting at the interface between regions with different DMI, over particularly strong confinement of domain walls and skyrmions within high-DMI tracks, to advanced applications such as domain tailoring nearly at will, design of magnonic waveguides, and much improved skyrmion racetrack memory.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000399382100003 Publication Date 2017-04-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 60 Open Access  
  Notes Fonds Wetenschappelijk Onderzoek, G098917N ; Approved Most recent IF: 3.836  
  Call Number CMT @ cmt @ c:irua:141917 Serial 4534  
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