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Author Kosimov, D.P.; Dzhurakhalov, A.A.; Peeters, F.M. url  doi
openurl 
  Title Theoretical study of the stable states of small carbon clusters Cn (n=210) Type A1 Journal article
  Year 2008 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 78 Issue (down) 23 Pages 235433,1-235433,8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Both even- and odd-numbered neutral carbon clusters Cn (n=210) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-carbon interactions. Many stable configurations were found, and several new isomers are predicted. For the lowest energy stable configurations we obtained their binding energies and bond lengths. We found that for n5 the linear isomer is the most stable one while for n>5 the monocyclic isomer becomes the most stable. The latter was found to be regular for all studied clusters. The dependence of the binding energy for linear and cyclic clusters versus the cluster size n (n=210) is found to be in good agreement with several previous calculations, in particular with ab initio calculations as well as with experimental data for n=25.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000262245400119 Publication Date 2008-12-24  
  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 35 Open Access  
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:76006 Serial 3613  
Permanent link to this record
 

 
Author Govaerts, K.; Saniz, R.; Partoens, B.; Lamoen, D. url  doi
openurl 
  Title van der Waals bonding and the quasiparticle band structure of SnO from first principles Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue (down) 23 Pages 235210-235217  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract In this work we have investigated the structural and electronic properties of SnO, which is built up from layers kept together by van der Waals (vdW) forces. The combination of a vdW functional within density functional theory (DFT) and quasiparticle band structure calculations within the GW approximation provides accurate values for the lattice parameters, atomic positions, and the electronic band structure including the fundamental (indirect) and the optical (direct) band gap without the need of experimental or empirical input. A systematic comparison is made between different levels of self-consistency within the GW approach {following the scheme of Shishkin et al. [Phys. Rev. B 75, 235102 (2007)]} and the results are compared with DFT and hybrid functional results. Furthermore, the effect of the vdW-corrected functional as a starting point for the GW calculation of the band gap has been investigated. Finally, we studied the effect of the vdW functional on the electron charge density.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000321061000003 Publication Date 2013-07-01  
  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 50 Open Access  
  Notes IWT; FWO; Hercules Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109596 Serial 3835  
Permanent link to this record
 

 
Author Leenaerts, O.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Water on graphene: hydrophobicity and dipole moment using density functional theory Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 79 Issue (down) 23 Pages 235440,1-235440,5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We apply density-functional theory to study the adsorption of water clusters on the surface of a graphene sheet and find i) graphene is highly hydrophobic and ii) adsorbed water has very little effect on the electronic structure of graphene. A single water cluster on graphene has a very small average dipole moment which is in contrast with an ice layer that exhibits a strong dipole moment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000267699500147 Publication Date 2009-06-29  
  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 292 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:77693 Serial 3904  
Permanent link to this record
 

 
Author Simchi, H.; Simchi, M.; Fardmanesh, M.; Peeters, F.M. pdf  url
doi  openurl
  Title Phase transition and field effect topological quantum transistor made of monolayer MoS2 Type A1 Journal article
  Year 2018 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 30 Issue (down) 23 Pages 235303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study topological phase transitions and topological quantum field effect transistor in monolayer molybdenum disulfide (MoS2) using a two-band Hamiltonian model. Without considering the quadratic (q(2)) diagonal term in the Hamiltonian, we show that the phase diagram includes quantum anomalous Hall effect, quantum spin Hall effect, and spin quantum anomalous Hall effect regions such that the topological Kirchhoff law is satisfied in the plane. By considering the q(2) diagonal term and including one valley, it is shown that MoS2 has a non-trivial topology, and the valley Chern number is non-zero for each spin. We show that the wave function is (is not) localized at the edges when the q(2) diagonal term is added (deleted) to (from) the spin-valley Dirac mass equation. We calculate the quantum conductance of zigzag MoS2 nanoribbons by using the nonequilibrium Green function method and show how this device works as a field effect topological quantum transistor.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000432821600001 Publication Date 2018-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 2 Open Access  
  Notes ; ; Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:151457UA @ admin @ c:irua:151457 Serial 5035  
Permanent link to this record
 

 
Author Aierken, Y.; Leenaerts, O.; Peeters, F.M. url  doi
openurl 
  Title First-principles study of the stability and edge stress of nitrogen-decorated graphene nanoribbons Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 97 Issue (down) 23 Pages 235436  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Edge functionalization of graphene nanoribbons with nitrogen atoms for various adatom configurations at armchair and zigzag edges are investigated. We provide comprehensive information on the electronic and magnetic properties and investigate the stability of the various systems. Two types of rippling of the nanoribbons, namely edge and bulk rippling depending on the sign of edge stress induced at the edge, are found. They are found to play the decisive role for the stability of the structures. We also propose a type of edge decoration in which every third nitrogen adatom at the zigzag edges is replaced by an oxygen atom. In this way, the electron count is compatible with a full aromatic structure, leading to additional stability and a disappearance of magnetism that is usually associated with zigzag nanoribbons.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000436192300006 Publication Date 2018-06-25  
  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 1 Open Access  
  Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:152478UA @ admin @ c:irua:152478 Serial 5104  
Permanent link to this record
 

 
Author Van der Donck, M.; Peeters, F.M. url  doi
openurl 
  Title Excitonic complexes in anisotropic atomically thin two-dimensional materials : black phosphorus and TiS3 Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 98 Issue (down) 23 Pages 235401  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of anisotropy in the energy spectrum on the binding energy and structural properties of excitons, trions, and biexcitons is investigated. To this end we employ the stochastic variational method with a correlated Gaussian basis. We present results for the binding energy of different excitonic complexes in black phosphorus (bP) and TiS3 and compare them with recent results in the literature when available, for which we find good agreement. The binding energies of excitonic complexes in bP are larger than those in TiS3. We calculate the different average interparticle distances in bP and TiS3 and show that excitonic complexes in bP are strongly anisotropic whereas in TiS3 they are almost isotropic, even though the constituent particles have an anisotropic energy spectrum. This is also confirmed by the correlation functions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000452003400009 Publication Date 2018-12-03  
  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 10 Open Access  
  Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD and by the FLAG-ERA project TRANS-2D-TMD. ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:156247 Serial 5211  
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Author De Sloovere, D.; Safari, M.; Elen, K.; D'Haen, J.; Drozhzhin, O.A.; Abakumov, A.M.; Simenas, M.; Banys, J.; Bekaert, J.; Partoens, B.; Van Bael, M.K.; Hardy, A. pdf  doi
openurl 
  Title Reduced Na2+xTi4O9 composite : a durable anode for sodium-ion batteries Type A1 Journal article
  Year 2018 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 30 Issue (down) 23 Pages 8521-8527  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Sodium-ion batteries (SIBs) are potential cost-effective solutions for stationary energy storage applications. Unavailability of suitable anode materials, however, is one of the important barriers to the maturity of SIBs. Here, we report a Na2+xTi4O9/C composite as a promising anode candidate for SIBs with high capacity and cycling stability. This anode is characterized by a capacity of 124 mAh g(-1) (plus 11 mAh g(-1) contributed by carbon black), an average discharge potential of 0.9 V vs Na/Na+, a good rate capability and a high stability (89% capacity retention after 250 cycles at a rate of 1 degrees C). The mechanisms of sodium insertion/deinsertion and of the formation of Na2+xTi4O9/C are investigated with the aid of various ex/in situ characterization techniques. The in situ formed carbon is necessary for the formation of the reduced sodium titanate. This synthesis method may enable the convenient synthesis of other composites of crystalline phases with amorphous carbon.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000453489300014 Publication Date 2018-11-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 7 Open Access  
  Notes ; This work was supported by the FWO (Research Foundation Flanders, project G040116). O.A.D. and A.M.A. are grateful to the Russian Science Foundation for financial support (Grant 17-73-30006). The authors acknowledge Pieter Samyn for Raman spectroscopy, Fulya Ulu Okudur for preliminary TEM, Bart Ruttens for XRD, Hilde Pellaers for SEM, Tom Haeldermans for elemental analysis, and Karen Leyssen and Vera Meynen for physisorption measurements. ; Approved Most recent IF: 9.466  
  Call Number UA @ admin @ c:irua:156235 Serial 5227  
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Author Yuan, H.F.; Xu, W.; Zhao, X.N.; Song, D.; Zhang, G.R.; Xiao, Y.M.; Ding, L.; Peeters, F.M. url  doi
openurl 
  Title Quantum and transport mobilities of a Na3Bi-based three-dimensional Dirac system Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 99 Issue (down) 23 Pages 235303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic and transport properties of a three-dimensional (3D) Dirac system are investigated theoretically, which is motivated by recent experimental measurements on quantum and transport mobilities in the 3D Dirac semimetal Na3Bi by J. Xiong et al. [Science 350, 413 (2015); Europhys. Lett. 114, 27002 (2016)]. The electron Hamiltonian is taken from a simplified k center dot p approach. From the obtained electronic band structure and the Fermi energy, we explain why the anomalous effect induced by the chiral anomaly and the Berry curvature in the energy band can be observed experimentally in magnetotransport coefficients in both low-and high-density samples. Moreover, the quantum and transport mobilities are calculated on the basis of the momentum-balance equation derived from a semiclassical Boltzmann equation with the electron-impurity interaction. The quantum and transport mobilities obtained from this study agree both qualitatively and quantitatively with those measured experimentally. We also examine the electron mobilities along different crystal directions in Na3Bi and find them largely anisotropic. The theoretical findings from this work can be helpful in gaining an in-depth understanding of the experimental results and of the basic electronic and transport properties of newly developed 3D Dirac systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000471983500006 Publication Date 2019-06-17  
  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 1 Open Access  
  Notes ; ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:161329 Serial 5425  
Permanent link to this record
 

 
Author Shekarforoush, S.; Jalali, H.; Yagmurcukardes, M.; Milošević, M.V.; Neek-Amal, M. url  doi
openurl 
  Title Optoelectronic properties of confined water in angstrom-scale slits Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 102 Issue (down) 23 Pages 235406  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The optoelectronic properties of confined water form one of the most active research areas in the past few years. Here we present the multiscale methodology to discern the out-of-plane electronic and dipolar dielectric constants (epsilon(el)(perpendicular to) and epsilon(diP)(perpendicular to)) of strongly confined water. We reveal that epsilon(perpendicular to el) and epsilon(diP)(perpendicular to) become comparable for water confined in angstrom-scale channels (with a height of less than 15 angstrom) within graphene (GE) and hexagonal boron nitride (hBN) bilayers. Channel height (h) associated with a minimum in both epsilon(e)(l)(perpendicular to) and epsilon(dip)(perpendicular to) is linked to the formation of the ordered structure of ice for h approximate to (7 -7.5) angstrom. The recently measured total dielectric constant epsilon(T)(perpendicular to) of nanoconfined water [L. Fumagalli et al., Science 360, 1339 (2018)] is corroborated by our results. Furthermore, we evaluate the contribution from the encapsulating membranes to the dielectric properties, as a function of the interlayer spacing, i.e., the height of the confining channel for water. Finally, we conduct analysis of the optical properties of both confined water and GE membranes, and show that the electron energy loss function of confined water strongly differs from that of bulk water.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000595856100004 Publication Date 2020-12-04  
  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 3.7 Times cited 1 Open Access  
  Notes ; This work was supported by the Research Foundation – Flanders (FWO). M.Y. gratefully acknowledges his FWO postdoctoral mandate. ; Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number UA @ admin @ c:irua:175051 Serial 6695  
Permanent link to this record
 

 
Author Pandey, T.; Covaci, L.; Milošević, M.V.; Peeters, F.M. doi  openurl
  Title Flexoelectricity and transport properties of phosphorene nanoribbons under mechanical bending Type A1 Journal article
  Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 103 Issue (down) 23 Pages 235406  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We examine from first principles the flexoelectric properties of phosphorene nanoribbons under mechanical bending along armchair and zigzag directions. In both cases we find that the radial polarization depends linearly on the strain gradient. The flexoelectricity along the armchair direction is over 40% larger than along the zigzag direction. The obtained flexoelectric coefficients of phosphorene are four orders of magnitude larger than those of graphene and comparable to transition metal dichalcogenides. Analysis of charge density shows that the flexoelectricity mainly arises from the pz orbitals of phosphorus atoms. The electron mobilities in bent phosphorene can be enhanced by over 60% along the armchair direction, which is significantly higher than previous reports of mobility tuned by uniaxial strain. Our results indicate phosphorene is a candidate for a two-dimensional material applicable in flexible-electronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000657129800006 Publication Date 2021-06-02  
  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 8 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:179109 Serial 6996  
Permanent link to this record
 

 
Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Mortazavi, B.; Ziabari, A.A.; Khatibani, A.B.; Nguyen, C., V; Ghergherehchi, M.; Gogova, D. pdf  doi
openurl 
  Title Point defects in a two-dimensional ZnSnN₂ nanosheet : a first-principles study on the electronic and magnetic properties Type A1 Journal article
  Year 2021 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C  
  Volume 125 Issue (down) 23 Pages 13067-13075  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The reduction of dimensionality is a very effective way to achieve appealing properties in two-dimensional materials (2DMs). First-principles calculations can greatly facilitate the prediction of 2DM properties and find possible approaches to enhance their performance. We employed first-principles calculations to gain insight into the impact of different types of point defects (vacancies and substitutional dopants) on the electronic and magnetic properties of a ZnSnN2 (ZSN) monolayer. We show that Zn, Sn, and N + Zn vacancy-defected structures are p-type conducting, while the defected ZSN with a N vacancy is n-type conducting. For substitutional dopants, we found that all doped structures are thermally and energetically stable. The most stable structure is found to be B-doping at the Zn site. The highest work function value (5.0 eV) has been obtained for Be substitution at the Sn site. Li-doping (at the Zn site) and Be-doping (at the Sn site) are p-type conducting, while B-doping (at the Zn site) is n-type conducting. We found that the considered ZSN monolayer-based structures with point defects are magnetic, except those with the N vacancy defects and Be-doped structures. The ab initio molecular dynamics simulations confirm that all substitutionally doped and defected structures are thermally stable. Thus, our results highlight the possibility of tuning the magnetism in ZnSnN2 monolayers through defect engineering.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000664312500063 Publication Date 2021-06-03  
  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 Not_Open_Access  
  Notes Approved Most recent IF: 4.536  
  Call Number UA @ admin @ c:irua:179741 Serial 7012  
Permanent link to this record
 

 
Author Cai, J.; Griffin, E.; Guarochico-Moreira, V.; Barry, D.; Xin, B.; Huang, S.; Geim, A.K.; Peeters, F.M.; Lozada-Hidalgo, M. url  doi
openurl 
  Title Photoaccelerated water dissociation across one-atom-thick electrodes Type A1 Journal article
  Year 2022 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 22 Issue (down) 23 Pages 9566-9570  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Recent experiments demonstrated that interfacial water dissociation (H2O ⇆ H+ + OH-) could be accelerated exponentially by an electric field applied to graphene electrodes, a phenomenon related to the Wien effect. Here we report an order-of-magnitude acceleration of the interfacial water dissociation reaction under visible-light illumination. This process is accompanied by spatial separation of protons and hydroxide ions across one-atom-thick graphene and enhanced by strong interfacial electric fields. The found photoeffect is attributed to the combination of graphene's perfect selectivity with respect to protons, which prevents proton-hydroxide recombination, and to proton transport acceleration by the Wien effect, which occurs in synchrony with the water dissociation reaction. Our findings provide fundamental insights into ion dynamics near atomically thin proton-selective interfaces and suggest that strong interfacial fields can enhance and tune very fast ionic processes, which is of relevance for applications in photocatalysis and designing reconfigurable materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000892112200001 Publication Date 2022-11-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.8 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 10.8  
  Call Number UA @ admin @ c:irua:192759 Serial 7330  
Permanent link to this record
 

 
Author Wozniak, T.; Faria, P.E., Jr.; Seifert, G.; Chaves, A.; Kunstmann, J. url  doi
openurl 
  Title Exciton g factors of van der Waals heterostructures from first-principles calculations Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 101 Issue (down) 23 Pages 235408-235411  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract External fields are a powerful tool to probe optical excitations in a material. The linear energy shift of an excitation in a magnetic field is quantified by its effective g factor. Here we show how exciton g factors and their sign can be determined by converged first-principles calculations. We apply the method to monolayer excitons in semiconducting transition metal dichalcogenides and to interlayer excitons in MoSe2/WSe2 heterobilayers and obtain good agreement with recent experimental data. The precision of our method allows us to assign measured g factors of optical peaks to specific transitions in the band structure and also to specific regions of the samples. This revealed the nature of various, previously measured interlayer exciton peaks. We further show that, due to specific optical selection rules, g factors in van der Waals heterostructures are strongly spin and stacking-dependent. The calculation of orbital angular momenta requires the summation over hundreds of bands, indicating that for the considered two-dimensional materials the basis set size is a critical numerical issue. The presented approach can potentially be applied to a wide variety of semiconductors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000537315100009 Publication Date 2020-06-03  
  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 3.7 Times cited Open Access  
  Notes Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number UA @ admin @ c:irua:170219 Serial 7944  
Permanent link to this record
 

 
Author Zhao, C.X.; Xu, W.; Peeters, F.M. doi  openurl
  Title Cerenkov emission of terahertz acoustic-phonons from graphene Type A1 Journal article
  Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 102 Issue (down) 22 Pages 222101-222104  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a theoretical study of the electrical generation of acoustic-phonon emission from graphene at room temperature. The drift velocity (v(x)) and temperature of electrons driven by dc electric field (F-x) are determined by solving self-consistently the momentum-and energy-balance equations derived from the Boltzmann equation. We find that in the presence of impurity, acoustic-and optic-phonon scattering, v(x) can be much larger than the longitudinal (v(l)) and transverse (v(t)) sound velocities in graphene even within the linear response regime. As a result, although the acoustic Cerenkov effect cannot be obviously seen in the analytical formulas, the enhanced acoustic-phonon emission can be observed with increasing F-x when v(x) > v(l) and v > v(t). The frequency of acoustic-phonon emission from graphene can be above 10 THz, which is much higher than that generated from conventional semiconductor systems. This study is pertinent to the application of graphene as hypersonic devices such as terahertz sound sources. (C) 2013 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000320621600034 Publication Date 2013-06-03  
  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 25 Open Access  
  Notes ; This work was supported by the National Natural Science Foundation of China (Grant No. 10974206), Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. ; Approved Most recent IF: 3.411; 2013 IF: 3.515  
  Call Number UA @ lucian @ c:irua:109607 Serial 305  
Permanent link to this record
 

 
Author Van Duppen, B.; Peeters, F.M. url  doi
openurl 
  Title Comment on “Chiral tunneling in trilayer graphene” [Appl. Phys. Lett. 100, 163102 (2012)] Type Editorial
  Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 101 Issue (down) 22 Pages 226101-1  
  Keywords Editorial; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Amer inst physics Place of Publication Melville Editor  
  Language Wos 000311967000107 Publication Date 2012-11-29  
  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 7 Open Access  
  Notes ; ; Approved Most recent IF: 3.411; 2012 IF: 3.794  
  Call Number UA @ lucian @ c:irua:105999 Serial 408  
Permanent link to this record
 

 
Author Engbarth, M.A.; Bending, S.J.; Milošević, M.V. url  doi
openurl 
  Title Geometry-driven vortex states in type-I superconducting Pb nanowires Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 83 Issue (down) 22 Pages 224504-224504,7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Hall probe magnetometry has been used to investigate the magnetization of individual cylindrically shaped Pb nanowires grown by electrocrystallization on a highly oriented pyrolytic graphite electrode. These measurements have been interpreted by comparison with three-dimensional Ginzburg-Landau (GL) calculations for nanowires with our sample parameters. We find that the measured superheating field and the critical field for surface superconductivity are strongly influenced by the temperature-dependent coherence length, ξ(T) and penetration depth λ(T) and their relationship to the nanowire diameter. As the temperature is increased toward Tc this drives a change in the superconductor-normal transition from first order irreversible to first order reversible and finally second order reversible. We find that the geometrical flux confinement in our type-I nanowires leads to the formation of a one-dimensional row of single-quantum vortices. While GL calculations show a quite uniform distribution of vortices in thin nanowires, clear vortex bunching is found as the diameter increases, suggesting a transition to a more classical type-I behavior. Subtle changes in minor magnetization loops also indicate that slightly different flux configurations can form with the same vorticity, which depend on the sample history.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000291888300012 Publication Date 2011-06-21  
  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 19 Open Access  
  Notes ; We acknowledge valuable conversations with F. V. Kusmartsev and W. M. Wu at Loughborough University, UK. This work was supported by the EPSRC-UK under Grant No. EP/E039944/1, and the Flemish Science Foundation (FWO). ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:90927 Serial 1331  
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Author Vodolazov, D.Y.; Peeters, F.M. url  doi
openurl 
  Title Heating of quasiparticles driven by oscillations of the order parameter in short superconducting microbridges Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 83 Issue (down) 22 Pages 224523-224523,6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We predict heating of quasiparticles driven by order parameter oscillations in the resistive state of short superconducting microbridges. The finite relaxation time of the magnitude of the order parameter |Δ| and the dependence of the spectral functions both on |Δ| and the supervelocity Q are the origin of this effect. Our results are opposite to those of Aslamazov and Larkin [ Zh. Eks. Teor. Fiz. 70 1340 (1976)] and Schmid et al. [ Phys. Rev. B 21 5076 (1980)] where cooling of quasiparticles was found.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000292218200010 Publication Date 2011-06-29  
  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 ; This work was supported by the Russian Foundation for Basic Research, Russian Agency of Education under the Federal Target Programme “Scientific and educational personnel of innovative Russia in 2009-2013,” Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:90924 Serial 1415  
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Author Berdiyorov, G.R.; Chao, X.H.; Peeters, F.M.; Wang, H.B.; Moshchalkov, V.V.; Zhu, B.Y. url  doi
openurl 
  Title Magnetoresistance oscillations in superconducting strips : a Ginzburg-Landau study Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue (down) 22 Pages 224504-224508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Within the time-dependent Ginzburg-Landau theory we study the dynamic properties of current-carrying superconducting strips in the presence of a perpendicular magnetic field. We found pronounced voltage peaks as a function of the magnetic field, the amplitude of which depends both on sample dimensions and external parameters. These voltage oscillations are a consequence of moving vortices, which undergo alternating static and dynamic phases. At higher fields or for high currents, the continuous motion of vortices is responsible for the monotonic background on which the resistance oscillations due to the entry of additional vortices are superimposed. Mechanisms for such vortex-assisted resistance oscillations are discussed. Qualitative changes in the magnetoresistance curves are observed in the presence of random defects, which affect the dynamics of vortices in the system.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000312064300004 Publication Date 2012-12-10  
  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 31 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the ESF-NES program. G. R. B. acknowledges support from FWO-Vl. B.Y.Z. acknowledges the support from the MOST 973 Projects No. 2011CBA00110 and No. 2009CB930803, and the National Natural Science Foundation of China. V. V. M. acknowledges support from the Methusalem Funding by the Flemish Government. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:105969 Serial 1930  
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Author Payette, C.; Partoens, B.; Yu, G.; Gupta, J.A.; Austing, D.G.; Nair, S.V.; Amaha, S.; Tarucha, S. doi  openurl
  Title Modeling single-particle energy levels and resonance currents in a coherent electronic quantum dot mixer Type A1 Journal article
  Year 2009 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 94 Issue (down) 22 Pages 222101,1-22101,3  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present model calculations based on a coherent tunneling picture, which reproduce well both the single-particle energy level position and the resonant current strength at two typical anticrossings, one involving two levels and the other three levels in a coherent mixer composed of two weakly coupled vertical quantum dots. An essential ingredient is the inclusion of higher degree terms to account for deviations from an ideal elliptical parabolic confining potential in realistic dots. We also calculate density plots of the mixed states for the modified potential.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000266674300024 Publication Date 2009-06-01  
  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 5 Open Access  
  Notes Approved Most recent IF: 3.411; 2009 IF: 3.554  
  Call Number UA @ lucian @ c:irua:77380 Serial 2139  
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Author Vagov, A.; Croitoru, M.D.; Axt, V.M.; Kuhn, T.; Peeters, F.M. url  doi
openurl 
  Title Nonmonotonic field dependence of damping and reappearance of Rabi oscillations in quantum dots Type A1 Journal article
  Year 2007 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 98 Issue (down) 22 Pages 1-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000246910100059 Publication Date 2007-06-01  
  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 91 Open Access  
  Notes Iap Approved Most recent IF: 8.462; 2007 IF: 6.944  
  Call Number UA @ lucian @ c:irua:64768 Serial 2362  
Permanent link to this record
 

 
Author Croitoru, M.D.; Buzdin, A.I. url  doi
openurl 
  Title Peculiarities of the orbital effect in the Fulde-Ferrell-Larkin-Ovchinnikov state in quasi-one-dimensional superconductors Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 89 Issue (down) 22 Pages 224506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the quasiclassical formalism, we determine the low-temperature phase diagram of a quasi-one-dimensional superconductor, taking into account the interchain Josephson coupling and the paramagnetic spin splitting. We show that the anisotropy of the onset of superconductivity changes in the FFLO state as compared with the conventional superconducting phase. It can result in anomalous peaks in the field-direction dependence of the upper critical field when the magnetic field length equals to the FFLO period. This regime is characterized by the lock-in effect of the FFLO modulation wave vector, which is governed by the magnetic length. Furthermore, in the FFLO phase, the anisotropy of the upper critical field is inverted at T-1(**) = 0.5T(c0), where the orbital anisotropy disappears. We suggest that an experimental study of the anisotropy of the upper critical field can provide very reach information about the parameters of the FFLO phase in quasi-1D samples.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000336975000005 Publication Date 2014-06-09  
  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 Open Access  
  Notes Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:117749 Serial 2569  
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Author Xing, Y.T.; Micklitz, H.; Rappoport, T.G.; Milošević, M.V.; Solorzano-Naranjo, I.G.; Baggio-Saitovitch, E. url  doi
openurl 
  Title Spontaneous vortex phases in superconductor-ferromagnet Pb-Co nanocomposite films Type A1 Journal article
  Year 2008 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 78 Issue (down) 22 Pages 224524,1-224524,5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We report measurements which indicate the appearance of spontaneous vortices in lead superconducting films with embedded magnetic nanoparticles and a temperature-induced phase transition between different vortex phases. Unlike common vortices in superconductors, the vortex phase appears in the absence of applied magnetic field. The vortices nucleate exclusively due to the stray field of the magnetic nanoparticles, which serve the dual role of providing the internal field and simultaneously acting as pinning centers. Transport measurements reveal dynamical phase transitions that depend on temperature (T) and applied field (H) and support the obtained H-T phase diagram.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000262245200092 Publication Date 2008-12-30  
  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 15 Open Access  
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:76005 Serial 3109  
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Author Chen, Y.; Shanenko, A.A.; Peeters, F.M. url  doi
openurl 
  Title Superconducting transition temperature of Pb nanofilms : impact of thickness-dependent oscillations of the phonon-mediated electron-electron coupling Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue (down) 22 Pages 224517-224517,6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract To date, several experimental groups reported measurements of the thickness dependence of T-c of atomically uniform single-crystalline Pb nanofilms. The reported amplitude of the T-c oscillations varies significantly from one experiment to another. Here we propose that the reason for this unresolved issue is an interplay of the quantum-size variations in the single-electron density of states with thickness-dependent oscillations in the phonon-mediated electron-electron coupling. Such oscillations in the coupling depend on the substrate material, the quality of the interface, the protection cover, and other details of the fabrication process, changing from one experiment to another. This explains why the available data do not exhibit one-voice consistency about the amplitude of the T-c oscillations. Our analyses are based on a numerical solution of the Bogoliubov-de Gennes equations for a superconducting slab.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000305251300006 Publication Date 2012-06-14  
  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 24 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:99076 Serial 3368  
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Author Michel, K.H.; Verberck, B. url  doi
openurl 
  Title Theory of elastic and piezoelectric effects in two-dimensional hexagonal boron nitride Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 80 Issue (down) 22 Pages 224301,1-224301,10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Starting from an empirical force constant model of valence interactions and calculating by Ewalds method the ion-ion force constants, we derive the dynamical matrix for a monolayer crystal of hexagonal boron nitride (h-BN). The phonon dispersion relations are calculated. The interplay between valence and Coulomb forces is discussed. It is shown by analytical methods that the longitudinal and the transverse optical (LO and TO) phonon branches for in-plane motion are degenerate at the Γ point of the Brillouin zone. Away from Γ, the LO branch exhibits pronounced overbending. It is found that the nonanalytic Coulomb contribution to the dynamical matrix causes a linear increase of the LO branch with increasing wave vector starting at Γ. This effect is general for two-dimensional (2D) ionic crystals. Performing a long-wavelength expansion of the dynamical matrix, we use Borns perturbation method to calculate the elastic constants (tension coefficients). Since the crystal is noncentrosymmetric, internal displacements due to relative shifts between the two sublattices (B and N) contribute to the elastic constants. These internal displacements are responsible for piezoelectric and dielectric phenomena. The piezoelectric stress constant and the dielectric susceptibility of 2D h-BN are calculated.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000273228500045 Publication Date 2009-12-21  
  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 96 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:80576 Serial 3616  
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Author Nasirpouri, F.; Engbarth, M.A.; Bending, S.J.; Peter, L.M.; Knittel, A.; Fangohr, H.; Milošević, M.V. url  doi
openurl 
  Title Three-dimensional ferromagnetic architectures with multiple metastable states Type A1 Journal article
  Year 2011 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 98 Issue (down) 22 Pages 222506,1-222506,3  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We demonstrate controllable dual-bath electrodeposition of nickel on architecture-tunable three-dimensional (3D) silver microcrystals. Magnetic hysteresis loops of individual highly faceted Ag-Ni core-shell elements reveal magnetization reversal that comprises multiple sharp steps corresponding to different stable magnetic states. Finite-element micromagnetic simulations on smaller systems show several jumps during magnetization reversal which correspond to transitions between different magnetic vortex states. Structures of this type could be realizations of an advanced magnetic data storage architecture whereby each element represents one multibit, storing a combination of several conventional bits depending on the overall number of possible magnetic states associated with the 3D core-shell shape.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000291405700044 Publication Date 2011-06-03  
  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 8 Open Access  
  Notes ; This work was supported by EPSRC in the U.K. under Grant Nos. EP/E039944/1 and EP/E040063/1, DYNAMAG project (EU FP7/2007-2013 Grant No. 233552), and FWO-Vlaanderen. ; Approved Most recent IF: 3.411; 2011 IF: 3.844  
  Call Number UA @ lucian @ c:irua:90008 Serial 3652  
Permanent link to this record
 

 
Author Pogosov, W.V.; Misko, V.R. url  doi
openurl 
  Title Vortex quantum tunneling versus thermal activation in ultrathin superconducting nanoislands Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue (down) 22 Pages 224508-224508,5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We consider two possible mechanisms for single-vortex fluctuative entry/exit through the surface barrier in ultrathin superconducting disk-shaped nanoislands made of Pb and consisting of just a few monoatomic layers, which can be fabricated using modern techniques. We estimate tunneling probabilities and establish criteria for the crossover between these two mechanisms depending on magnetic field and system sizes. For the case of vortex entry, quantum tunneling dominates on the major part of the temperature/flux phase diagram. For the case of vortex exit, thermal activation turns out to be more probable. This nontrivial result is due to the subtle balance between the barrier height and width, which determine rates of the thermal activation and quantum tunneling, respectively.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000304856600003 Publication Date 2012-06-07  
  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 2 Open Access  
  Notes ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). W. V. P. acknowledges numerous discussions with A. O. Sboychakov and the support from the Dynasty Foundation, the RFBR (Project No. 12-02-00339), and RFBR-CNRS programme (Project No. 12-02-91055). ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:98908 Serial 3882  
Permanent link to this record
 

 
Author Lindell, L.; Çakir, D.; Brocks, G.; Fahlman, M.; Braun, S. url  doi
openurl 
  Title Role of intrinsic molecular dipole in energy level alignment at organic interfaces Type A1 Journal article
  Year 2013 Publication Applied Physics Letters Abbreviated Journal Appl Phys Lett  
  Volume 102 Issue (down) 22 Pages 223301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The energy level alignment in metal-organic and organic-organic junctions of the widely used materials tris-(8-hydroxyquinoline) aluminum (Alq(3)) and 1,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA) is investigated. The measured alignment schemes for single and bilayer films of Alq(3) and NTCDA are interpreted with the integer charge transfer (ICT) model. Single layer films of Alq(3) feature a constant vacuum level shift of similar to 0.2-0.4 eV in the absence of charge transfer across the interface. This finding is attributed to the intrinsic dipole of the Alq(3) molecule and (partial) ordering of the molecules at the interfaces. The vacuum level shift changes the onset of Fermi level pinning, as it changes the energy needed for equilibrium charge transfer across the interface. (C) 2013 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000320621600081 Publication Date 2013-06-05  
  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 22 Open Access  
  Notes ; We acknowledge funding from the European Community's Framework Programme under Grant No. FP7-NMP-228424 of the MINOTOR project as well as a project grant from the Swedish Energy Agency, STEM. ; Approved Most recent IF: 3.411; 2013 IF: 3.515  
  Call Number UA @ lucian @ c:irua:128323 Serial 4605  
Permanent link to this record
 

 
Author Madan, I.; Kusar, P.; Baranov, V.V.; Lu-Dac, M.; Kabanov, V.V.; Mertelj, T.; Mihailovic, D. url  doi
openurl 
  Title Real-time measurement of the emergence of superconducting order in a high-temperature superconductor Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 93 Issue (down) 22 Pages 224520  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Systems which rapidly evolve through symmetry-breaking transitions on timescales comparable to the fluctuation timescale of the single-particle excitations may behave very differently than under controlled near-ergodic conditions. A real-time investigation with high temporal resolution may reveal insights into the ordering through the transition that are not available in static experiments. We present an investigation of the system trajectory through a normal-to-superconductor transition in a prototype high-temperature superconducting cuprate in which such a situation occurs. Using a multiple pulse femtosecond spectroscopy technique we measure the system trajectory and time evolution of the single-particle excitations through the transition in La1.9Sr0.1CuO4 and compare the data to a simulation based on the time-dependent Ginzburg-Landau theory, using the laser excitation fluence as an adjustable parameter controlling the quench conditions in both experiment and theory. The comparison reveals the presence of significant superconducting fluctuations which precede the transition on short timescales. By including superconducting fluctuations as a seed for the growth of the superconducting order we can obtain a satisfactory agreement of the theory with the experiment. Remarkably, the pseudogap excitations apparently play no role in this process.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000378815800003 Publication Date 2016-07-01  
  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 5 Open Access  
  Notes ; We wish to acknowledge the useful discussion with T. W. Kibble regarding the importance of a variable quench rate in the experiment. The funding was provided by European Research Council advanced grant TRAJECTORY. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:144701 Serial 4683  
Permanent link to this record
 

 
Author Zhang, L.-F.; Covaci, L.; Milošević, M.V. url  doi
openurl 
  Title Topological phase transitions in small mesoscopic chiral p-wave superconductors Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue (down) 22 Pages 224512  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('Spin-triplet chiral p-wave superconductivity is typically described by a two-component order parameter, and as such is prone to unique emergent effects when compared to the standard single-component superconductors. Here we present the equilibrium phase diagram for small mesoscopic chiral p-wave superconducting disks in the presence of magnetic field, obtained by solving the microscopic Bogoliubov-de Gennes equations self-consistently. In the ultrasmall limit, the cylindrically symmetric giant-vortex states form the ground state of the system. However, with increasing sample size, the cylindrical symmetry is broken as the two components of the order parameter segregate into domains, and the number of fragmented domain walls between them characterizes the resulting states. Such domain walls are topological defects unique for the p-wave order, and constitute a dominant phase in the mesoscopic regime. Moreover, we find two possible types of domain walls, identified by their chirality-dependent interaction with the edge states.'));  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000418653500012 Publication Date 2017-12-26  
  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 18 Open Access  
  Notes ; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen) and the Special Research Funds of the University of Antwerp. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:148504 Serial 4901  
Permanent link to this record
 

 
Author Conti, S.; Van der Donck, M.; Perali, A.; Peeters, F.M.; Neilson, D. url  doi
openurl 
  Title Doping-dependent switch from one- to two-component superfluidity in coupled electron-hole van der Waals heterostructures Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 101 Issue (down) 22 Pages 220504-220506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The hunt for high-temperature superfluidity has received new impetus from the discovery of atomically thin stable materials. Electron-hole superfluidity in coupled MoSe2-WSe2 monolayers is investigated using a mean-field multiband model that includes band splitting caused by strong spin-orbit coupling. This splitting leads to a large energy misalignment of the electron and hole bands which is strongly modified by interchanging the doping of the monolayers. The choice of doping determines if the superfluidity is tunable from one to two components.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000538941900002 Publication Date 2020-06-09  
  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 3.7 Times cited 11 Open Access  
  Notes ; This work was partially supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl), the Methusalem Foundation, and the FLAG-ERA project TRANS2DTMD. We thank A. R. Hamilton and A. Vargas-Paredes for useful discussions. ; Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number UA @ admin @ c:irua:170201 Serial 6489  
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