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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 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 (up) 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 Javdani, Z.; Hassani, N.; Faraji, F.; Zhou, R.; Sun, C.; Radha, B.; Neyts, E.; Peeters, F.M.; Neek-Amal, M. pdf  url
doi  openurl
  Title Clogging and unclogging of hydrocarbon-contaminated nanochannels Type A1 Journal article
  Year 2022 Publication The journal of physical chemistry letters Abbreviated Journal J Phys Chem Lett  
  Volume 13 Issue 49 Pages 11454-11463  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The recent advantages of the fabrication of artificial nanochannels enabled new research on the molecular transport, permeance, and selectivity of various gases and molecules. However, the physisorption/chemisorption of the unwanted molecules (usually hydrocarbons) inside nanochannels results in the alteration of the functionality of the nanochannels. We investigated contamination due to hydrocarbon molecules, nanochannels made of graphene, hexagonal boron nitride, BC2N, and molybdenum disulfide using molecular dynamics simulations. We found that for a certain size of nanochannel (i.e., h = 0.7 nm), as a result of the anomalous hydrophilic nature of nanochannels made of graphene, the hydrocarbons are fully adsorbed in the nanochannel, giving rise to full uptake. An increasing temperature plays an important role in unclogging, while pressure does not have a significant role. The results of our pioneering work contribute to a better understanding and highlight the important factors in alleviating the contamination and unclogging of nanochannels, which are in good agreement with the results of recent experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000893147700001 Publication Date 2022-12-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 5.7 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 5.7  
  Call Number UA @ admin @ c:irua:192815 Serial 7263  
Permanent link to this record
 

 
Author Milošević, M.V.; Mandrus, D. pdf  doi
openurl 
  Title 2D quantum materials : magnetism and superconductivity Type A1 Journal article
  Year 2021 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys  
  Volume 130 Issue 18 Pages 180401  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000720289900004 Publication Date 2021-11-11  
  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  
  Impact Factor 2.068 Times cited (up) Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.068  
  Call Number UA @ admin @ c:irua:184090 Serial 6963  
Permanent link to this record
 

 
Author Rzeszotarski, B.; Mrenca-Kolasinska, A.; Peeters, F.M.; Szafran, B. url  doi
openurl 
  Title Effective Landé factors for an electrostatically defined quantum point contact in silicene Type A1 Journal article
  Year 2021 Publication Scientific Reports Abbreviated Journal Sci Rep-Uk  
  Volume 11 Issue 1 Pages 19892  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The transconductance and effective Lande g* factors for a quantum point contact defined in silicene by the electric field of a split gate is investigated. The strong spin-orbit coupling in buckled silicene reduces the g* factor for in-plane magnetic field from the nominal value 2 to around 1.2 for the first-to 0.45 for the third conduction subband. However, for perpendicular magnetic field we observe an enhancement of g* factors for the first subband to 5.8 in nanoribbon with zigzag and to 2.5 with armchair edge. The main contribution to the Zeeman splitting comes from the intrinsic spin-orbit coupling defined by the Kane-Mele form of interaction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000706380800089 Publication Date 2021-10-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4.259 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 4.259  
  Call Number UA @ admin @ c:irua:182502 Serial 6983  
Permanent link to this record
 

 
Author Pinto, N.; McNaughton, B.; Minicucci, M.; Milošević, M.V.; Perali, A. url  doi
openurl 
  Title Electronic transport mechanisms correlated to structural properties of a reduced graphene oxide sponge Type A1 Journal article
  Year 2021 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel  
  Volume 11 Issue 10 Pages 2503  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We report morpho-structural properties and charge conduction mechanisms of a foamy “graphene sponge ”, having a density as low as & AP;0.07 kg/m3 and a carbon to oxygen ratio C:O & SIME; 13:1. The spongy texture analysed by scanning electron microscopy is made of irregularly-shaped millimetres-sized small flakes, containing small crystallites with a typical size of & SIME;16.3 nm. A defect density as high as & SIME;2.6 x 1011 cm-2 has been estimated by the Raman intensity of D and G peaks, dominating the spectrum from room temperature down to & SIME;153 K. Despite the high C:O ratio, the graphene sponge exhibits an insulating electrical behavior, with a raise of the resistance value at & SIME;6 K up to 5 orders of magnitude with respect to the room temperature value. A variable range hopping (VRH) conduction, with a strong 2D character, dominates the charge carriers transport, from 300 K down to 20 K. At T < 20 K, graphene sponge resistance tends to saturate, suggesting a temperature-independent quantum tunnelling. The 2D-VRH conduction originates from structural disorder and is consistent with hopping of charge carriers between sp2 defects in the plane, where sp3 clusters related to oxygen functional groups act as potential barriers.</p>  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000713174500001 Publication Date 2021-09-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.553 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 3.553  
  Call Number UA @ admin @ c:irua:184050 Serial 6988  
Permanent link to this record
 

 
Author Wang, Q.; Lin, S.; Liu, X.; Xu, W.; Xiao, Y.; Liang, C.; Ding, L.; Peeters, F.M. pdf  url
doi  openurl
  Title Photoluminescence and electronic transition behaviors of single-stranded DNA Type A1 Journal article
  Year 2021 Publication Physical Review E Abbreviated Journal Phys Rev E  
  Volume 104 Issue 3 Pages 034412  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Due to the potential application of DNA for biophysics and optoelectronics, the electronic energy states and transitions of this genetic material have attracted a great deal of attention recently. However, the fluorescence and corresponding physical process of DNA under optical excitation with photon energies below ultraviolet are still not fully clear. In this work, we experimentally investigate the photoluminescence (PL) properties of single-stranded DNA (ssDNA) samples under near-ultraviolet (NUV) and visible excitations (270 similar to 440 nm). Based on the dependence of the PL peak wavelength (lem) upon the excitation wavelength (lex), the PL behaviors of ssDNA can be approximately classified into two categories. In the relatively short excitation wavelength regime, lem is nearly constant due to exciton-like transitions associated with delocalized excitonic states and excimer states. In the relatively long excitation wavelength range, a linear relation of lem = Alex + B with A 0 or A < 0 can be observed, which comes from electronic transitions related to coupled vibrational-electronic levels. Moreover, the transition channels in different excitation wavelength regimes and the effects of strand length and base type can be analyzed on the basis of these results. These important findings not only can give a general description of the electronic energy states and transitional behaviors of ssDNA samples under NUV and visible excitations, but also can be the basis for the application of DNA in nanoelectronics and optoelectronics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000703562300002 Publication Date 2021-09-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2470-0053 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.366 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 2.366  
  Call Number UA @ admin @ c:irua:182517 Serial 7009  
Permanent link to this record
 

 
Author Pandey, T.; Peeters, F.M.; Milošević, M.V. pdf  doi
openurl 
  Title Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers Type A1 Journal article
  Year 2022 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 9 Issue 1 Pages 015034  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Understanding the coupling between spin and phonons is critical for controlling the lattice thermal conductivity (kappa ( l )) in magnetic materials, as we demonstrate here for CrX3 (X = Br and I) monolayers. We show that these compounds exhibit large spin-phonon coupling (SPC), dominated by out-of-plane vibrations of Cr atoms, resulting in significantly different phonon dispersions in ferromagnetic (FM) and paramagnetic (PM) phases. Lattice thermal conductivity calculations provide additional evidence for strong SPC, where particularly large kappa ( l ) is found for the FM phase. Most strikingly, PM and FM phases exhibit radically different behavior with tensile strain, where kappa ( l ) increases with strain for the PM phase, and strongly decreases for the FM phase-as we explain through analysis of phonon lifetimes and scattering rates. Taken all together, we uncover the high significance of SPC on the phonon transport in CrX3 monolayers, a result extendable to other 2D magnetic materials, that will be useful in further design of thermal spin devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000735170300001 Publication Date 2021-12-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.5 Times cited (up) Open Access Not_Open_Access  
  Notes Approved Most recent IF: 5.5  
  Call Number UA @ admin @ c:irua:184642 Serial 7010  
Permanent link to this record
 

 
Author Nazar, N.D.; Vazifehshenas, T.; Ebrahimi, M.R.; Peeters, F.M. doi  openurl
  Title Strong anisotropic optical properties of 8-Pmmn borophene : a many-body perturbation study Type A1 Journal article
  Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 23 Issue 30 Pages 16417-16422  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using first-principles many-body perturbation theory, we investigate the optical properties of 8-Pmmn borophene at two levels of approximations; the GW method considering only the electron-electron interaction and the GW in combination with the Bethe-Salpeter equation including electron-hole coupling. The band structure exhibits anisotropic Dirac cones with semimetallic character. The optical absorption spectra are obtained for different light polarizations and we predict strong optical absorbance anisotropy. The absorption peaks undergo a global redshift when the electron-hole interaction is taken into account due to the formation of bound excitons which have an anisotropic excitonic wave function.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000677722700001 Publication Date 2021-07-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4.123 Times cited (up) Open Access Not_Open_Access  
  Notes Approved Most recent IF: 4.123  
  Call Number UA @ admin @ c:irua:180385 Serial 7022  
Permanent link to this record
 

 
Author Lavor, I.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B. pdf  url
doi  openurl
  Title Tunable coupling of terahertz Dirac plasmons and phonons in transition metal dichalcogenide-based van der Waals heterostructures Type A1 Journal article
  Year 2021 Publication 2d Materials Abbreviated Journal 2D Mater  
  Volume Issue Pages 015018  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Dirac plasmons in graphene hybridize with phonons of transition metal dichalcogenides (TMDs) when the materials are combined in so-called van der Waals heterostructures (vdWh), thus forming surface plasmon-phonon polaritons (SPPPs). The extend to which these modes are coupled depends on the TMD composition and structure, but also on the plasmons' properties. By performing realistic simulations that account for the contribution of each layer of the vdWh separately, we calculate how the strength of plasmon-phonon coupling depends on the number and composition of TMD layers, on the graphene Fermi energy and the specific phonon mode. From this, we present a semiclassical theory that is capable of capturing all relevant characteristics of the SPPPs. We find that it is possible to realize both strong and ultra-strong coupling regimes by tuning graphene's Fermi energy and changing TMD layer number.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000722020100001 Publication Date 2021-11-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6.937 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:183053 Serial 7036  
Permanent link to this record
 

 
Author Chaves, A.; Peeters, F.M. pdf  doi
openurl 
  Title Tunable effective masses of magneto-excitons in two-dimensional materials Type A1 Journal article
  Year 2021 Publication Solid State Communications Abbreviated Journal Solid State Commun  
  Volume 334 Issue Pages 114371  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Excitonic properties of Ge2H2 and Sn2H2, also known as Xanes, are investigated within the effective mass model. A perpendicularly applied magnetic field induces a negative shift on the exciton center-of-mass kinetic energy that is approximately quadratic with its momentum, thus pushing down the exciton dispersion curve and flattening it. This can be interpreted as an increase in the effective mass of the magneto-exciton, tunable by the field intensity. Our results show that in low effective mass two-dimensional semiconductors, such as Xanes, the applied magnetic field allows one to tune the magneto-exciton effective mass over a wide range of values.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000670329600003 Publication Date 2021-05-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0038-1098 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.554 Times cited (up) Open Access Not_Open_Access  
  Notes Approved Most recent IF: 1.554  
  Call Number UA @ admin @ c:irua:179762 Serial 7037  
Permanent link to this record
 

 
Author Chaves, A.; Covaci, L.; Peeters, F.M.; Milošević, M.V. url  doi
openurl 
  Title Topologically protected moiré exciton at a twist-boundary in a van der Waals heterostructure Type A1 Journal article
  Year 2022 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 9 Issue 2 Pages 025012  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract A twin boundary in one of the layers of a twisted van der Waals heterostructure separates regions with near opposite inter-layer twist angles. In a MoS<sub>2</sub>/WSe<sub>2</sub>bilayer, the regions with<inline-formula><tex-math><?CDATA $Rh^h$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>h</mi></msubsup></math><inline-graphic href=“tdmac529dieqn1.gif” type=“simple” /></inline-formula>and<inline-formula><tex-math><?CDATA $Rh^X$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>X</mi></msubsup></math><inline-graphic href=“tdmac529dieqn2.gif” type=“simple” /></inline-formula>stacking registry that defined the sub-lattices of the moiré honeycomb pattern would be mirror-reflected across such a twist boundary. In that case, we demonstrate that topologically protected chiral moiré exciton states are confined at the twist boundary. These are one-dimensional and uni-directional excitons with opposite velocities for excitons composed by electronic states with opposite valley/spin character, enabling intrinsic, guided, and far reaching valley-polarized exciton currents.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000760518100001 Publication Date 2022-04-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.5 Times cited (up) Open Access OpenAccess  
  Notes Fonds Wetenschappelijk Onderzoek; Conselho Nacional de Desenvolvimento Científico e Tecnológico, PQ ; Approved Most recent IF: 5.5  
  Call Number CMT @ cmt @c:irua:187124 Serial 7046  
Permanent link to this record
 

 
Author Menezes, R.M.; Šabani, D.; Bacaksiz, C.; de Souza Silva, C.C.; Milošević, M.V. url  doi
openurl 
  Title Tailoring high-frequency magnonics in monolayer chromium trihalides Type A1 Journal article
  Year 2022 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 9 Issue 2 Pages 025021  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Monolayer chromium-trihalides, the archetypal two-dimensional (2D) magnetic materials, are readily suggested as a promising platform for high-frequency magnonics. Here we detail the spin-wave properties of monolayer CrBr<sub>3</sub>and CrI<sub>3</sub>, using spin-dynamics simulations parametrized from the first principles. We reveal that spin-wave dispersion can be tuned in a broad range of frequencies by strain, paving the way towards flexo-magnonic applications. We further show that ever-present halide vacancies in these monolayers host sufficiently strong Dzyaloshinskii-Moriya interaction to scatter spin-waves, which promotes design of spin-wave guides by defect engineering. Finally we discuss the spectra of spin-waves propagating across a moiré-periodic modulation of magnetic parameters in a van der Waals heterobilayer, and show that the nanoscale moiré periodicities in such samples are ideal for realization of a magnonic crystal in the terahertz frequency range. Recalling the additional tunability of magnetic 2D materials by electronic gating, our results situate these systems among the front-runners for prospective high-frequency magnonic applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000771735500001 Publication Date 2022-04-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.5 Times cited (up) Open Access OpenAccess  
  Notes Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco; Special Research Funds of the University of Antwerp; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Fonds Wetenschappelijk Onderzoek; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; Approved Most recent IF: 5.5  
  Call Number CMT @ cmt @c:irua:187125 Serial 7048  
Permanent link to this record
 

 
Author Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V. url  doi
openurl 
  Title Axion insulator states in a topological insulator proximitized to magnetic insulators : a tight-binding characterization Type A1 Journal article
  Year 2022 Publication Physical review materials Abbreviated Journal  
  Volume 6 Issue 7 Pages 074205-74208  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The recent discovery of axion states in materials such as antiferromagnetic topological insulators has boosted investigations of the magnetoelectric response in topological insulators and their promise towards realizing dissipationless topological electronics. In this paper, we develop a tight-binding methodology to explore the emergence of axion states in Bi2Se3 in proximity to magnetic insulators on the top and bottom surfaces. The topological protection of the surface states is lifted by a time-reversal-breaking perturbation due to the proximity of a magnetic insulator, and a gap is opened on the surfaces, giving rise to half-quantized Hall conductance and a zero Hall plateau-evidencing an axion insulator state. We developed a real-space tight-binding Hamiltonian for Bi2Se3 using first-principles data. Transport properties of the system were obtained within the Landauer-Buttiker formalism, and we discuss the creation of axion states through Hall conductance and a zero Hall plateau at the surfaces, as a function of proximitized magnetization and corresponding potentials at the surfaces, as well as the thickness of the topological insulator.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000832387000006 Publication Date 2022-07-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.4 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 3.4  
  Call Number UA @ admin @ c:irua:189498 Serial 7130  
Permanent link to this record
 

 
Author Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V. doi  openurl
  Title Controlling the hybridization gap and transport in a thin-film topological insulator : effect of strain, and electric and magnetic field Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 106 Issue 3 Pages 035119-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In a thin-film topological insulator (TI), the edge states on two surfaces may couple by quantum tunneling, opening a gap known as the hybridization gap. Controlling the hybridization gap and transport has a variety of potential uses in photodetection and energy-harvesting applications. In this paper, we report the effect of strain, and electric and magnetic field, on the hybridization gap and transport in a thin Bi2Se3 film, investigated within the tight-binding theoretical framework. We demonstrate that vertical compression decreases the hybridization gap, as does tensile in-plane strain. Applying an electric field breaks the inversion symmetry and leads to a Rashba-like spin splitting proportional to the electric field, hence closing and reopening the gap. The influence of a magnetic field on thin-film TI is also discussed, starting from the role of an out-of-plane magnetic field on quantum Hall states. We further demonstrate that the hybridization gap can be controlled by an in-plane magnetic field, and that by applying a sufficiently strong field a quantum phase transition from an insulator to a semimetal can be achieved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000832277500001 Publication Date 2022-07-13  
  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 (up) Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.7  
  Call Number UA @ admin @ c:irua:189515 Serial 7140  
Permanent link to this record
 

 
Author Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. url  doi
openurl 
  Title Indentation of graphene nano-bubbles Type A1 Journal article
  Year 2022 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 14 Issue 15 Pages 5876-5883  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics simulations are used to investigate the effect of an AFM tip when indenting graphene nano bubbles filled by a noble gas (i.e. He, Ne and Ar) up to the breaking point. The failure points resemble those of viral shells as described by the Foppl-von Karman (FvK) dimensionless number defined in the context of elasticity theory of thin shells. At room temperature, He gas inside the bubbles is found to be in the liquid state while Ne and Ar atoms are in the solid state although the pressure inside the nano bubble is below the melting pressure of the bulk. The trapped gases are under higher hydrostatic pressure at low temperatures than at room temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000776763000001 Publication Date 2022-03-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 6.7  
  Call Number UA @ admin @ c:irua:187924 Serial 7171  
Permanent link to this record
 

 
Author Mirzakhani, M.; da Costa, D.R.; Peeters, F.M. url  doi
openurl 
  Title Isolated and hybrid bilayer graphene quantum rings Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 105 Issue 11 Pages 115430-11  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the continuum model, we investigate the electronic properties of two types of bilayer graphene (BLG) quantum ring (QR) geometries: (i) An isolated BLG QR and (ii) a monolayer graphene (MLG) with a QR put on top of an infinite graphene sheet (hybrid BLG QR). Solving the Dirac-Weyl equation in the presence of a perpendicular magnetic field and applying the infinite mass boundary condition at the ring boundaries, we obtain analytical results for the energy levels and corresponding wave spinors for both structures. In the case of isolated BLG QR, we observe a sizable and magnetically tunable band gap which agrees with the tight-binding transport simulations. Our analytical results also show the intervalley symmetry EeK (m) = ???EK??? h (m) between the electron (e) and the hole (h) states (m is the angular momentum quantum number) for the energy spectrum of the isolated BLG QR. The presence of interface boundary in a hybrid BLG QR modifies drastically the energy levels as compared with that of an isolated BLG QR. Its energy levels are tunable from MLG dot to isolated BLG QR and to MLG Landau energy levels as the magnetic field is varied. Our predictions can be verified experimentally using different techniques such as by magnetotransport measurements.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000801209300006 Publication Date 2022-03-28  
  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 (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 3.7  
  Call Number UA @ admin @ c:irua:188703 Serial 7175  
Permanent link to this record
 

 
Author Moura, V.N.; Dantas, D.S.; Farias, G.A.; Chaves, A.; Milošević, M.V. url  doi
openurl 
  Title Latent superconductivity at parallel interfaces in a superlattice dominated by another collective quantum phase Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 106 Issue 1 Pages 014516-10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We theoretically examine behavior of superconductivity at parallel interfaces separating the domains of another dominant collective excitation, such as charge density waves or spin density waves. Due to their competitive coupling in a two-component Ginzburg-Landau model, suppression of the dominant order parameter at the interfacial planes allows for nucleation of the (hidden) superconducting order parameter at those planes. In such a case, we demonstrate how the number of the parallel interfacial planes and the distance between them are linked to the number and the size of the emerging superconducting gaps in the system, as well as the versatility and temperature evolution of the possible superconducting phases. These findings bear relevance to a broad selection of known layered superconducting materials, as well as to further design of artificial (e.g., oxide) superlattices, where the interplay between competing order parameters paves the way towards otherwise unattainable superconducting states, some with enhanced superconducting critical temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000834346000004 Publication Date 2022-07-22  
  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  
  Impact Factor 3.7 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 3.7  
  Call Number UA @ admin @ c:irua:189520 Serial 7179  
Permanent link to this record
 

 
Author Abedi, S.; Sisakht, E.T.; Hashemifar, S.J.; Cherati, N.G.; Sarsari, I.A.; Peeters, F.M. doi  openurl
  Title Prediction of novel two-dimensional Dirac nodal line semimetals in Al₂B₂ and AlB₄ monolayers Type A1 Journal article
  Year 2022 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 14 Issue 31 Pages 11270-11283  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Topological semimetal phases in two-dimensional (2D) materials have gained widespread interest due to their potential applications in novel nanoscale devices. Despite the growing number of studies on 2D topological nodal lines (NLs), candidates with significant topological features that combine nontrivial topological semimetal phase with superconductivity are still rare. Herein, we predict Al2B2 and AlB4 monolayers as new 2D nonmagnetic Dirac nodal line semimetals with several novel features. Our extensive electronic structure calculations combined with analytical studies reveal that, in addition to multiple Dirac points, these 2D configurations host various highly dispersed NLs around the Fermi level, all of which are semimetal states protected by time-reversal and in-plane mirror symmetries. The most intriguing NL in Al2B2 encloses the K point and crosses the Fermi level, showing a considerable dispersion and thus providing a fresh playground to explore exotic properties in dispersive Dirac nodal lines. More strikingly, for the AlB4 monolayer, we provide the first evidence for a set of 2D nonmagnetic open type-II NLs coexisting with superconductivity at a rather high transition temperature. The coexistence of superconductivity and nontrivial band topology in AlB4 not only makes it a promising material to exhibit novel topological superconducting phases, but also a rather large energy dispersion of type-II nodal lines in this configuration may offer a platform for the realization of novel topological features in the 2D limit.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000831003900001 Publication Date 2022-06-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6.7 Times cited (up) Open Access Not_Open_Access  
  Notes Approved Most recent IF: 6.7  
  Call Number UA @ admin @ c:irua:189505 Serial 7196  
Permanent link to this record
 

 
Author Yu, Y.; Xie, X.; Liu, X.; Li, J.; Peeters, F.M.; Li, L. url  doi
openurl 
  Title Two-dimensional semimetal states in transition metal trichlorides : a first-principles study Type A1 Journal article
  Year 2022 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 121 Issue 11 Pages 112405-112407  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The two-dimensional (2D) transition metal trihalide (TMX3, X = Cl, Br, I) family has attracted considerable attention in recent years due to the realization of CrCl3, CrBr3, and CrI3 monolayers. Up to now, the main focus of the theoretically predicted TMX3 monolayers has been on the Chern insulator states, which can realize the quantum anomalous Hall effect. Here, using first-principles calculations, we theoretically demonstrate that the stable OsCl3 monolayer has a ferromagnetic ground state and a spin-polarized Dirac point without spin-orbit coupling (SOC), which disappears in the band structure of a Janus OsBr1.5Cl1.5 monolayer. We find that OsCl3 exhibits in-plane magnetization when SOC is included. By manipulating the magnetization direction along the C-2 symmetry axis of the OsCl3 structure, a gapless half-Dirac semimetal state with SOC can be achieved, which is different from the gapped Chern insulator state. Both semimetal states of OsCl3 monolayer without and with SOC exhibit a linear half-Dirac point (twofold degenerate) with high Fermi velocities. The achievement of the 2D semimetal state with SOC is expected to be found in other TMX3 monolayers, and we confirm it in a TiCl3 monolayer. This provides a different perspective to study the band structure with SOC of the 2D TMX3 family.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000863219400003 Publication Date 2022-09-15  
  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  
  Impact Factor 4 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 4  
  Call Number UA @ admin @ c:irua:191541 Serial 7223  
Permanent link to this record
 

 
Author Harrabi, K.; Gasmi, K.; Mekki, A.; Bahlouli, H.; Kunwar, S.; Milošević, M.V. pdf  url
doi  openurl
  Title Detection and measurement of picoseconds-pulsed laser energy using a NbTiN superconducting filament Type A1 Journal article
  Year 2023 Publication IEEE transactions on applied superconductivity Abbreviated Journal  
  Volume 33 Issue 5 Pages 2400205-5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract investigate non-equilibrium states created by a laser beam incident on a superconducting NbTiN filament subject to an electrical pulse at 4 K. In absence of the laser excitation, when the amplitude of the current pulse applied to the filament exceeds the critical current value, we monitored the delay time td that marks the collapse of the superconducting phase which is then followed by a voltage rise. We linked the delay time to the applied current using the time-dependent Ginzburg-Landau (TDGL) theory, which enabled us to deduce the cooling (or heat-removal) time from the fit to the experimental data. Subsequently, we exposed the filament biased with a current pulse close to its critical value to a focused laser beam, inducing a normal state in the impact region of the laser beam. We showed that the energy of the incident beam and the incurred delay time are related to each other by a simple expression, that enables direct measurement of incident beam energy by temporal monitoring of the transport response. This method can be extended for usage in single-photon detection regime, and be used for accurate calibration of an arbitrary light source.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000946265900016 Publication Date 2023-02-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1051-8223 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.8 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 1.8; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:195110 Serial 7295  
Permanent link to this record
 

 
Author Mirzakhani, M.; Myoung, N.; Peeters, F.M.; Park, H.C. pdf  doi
openurl 
  Title Electronic Mach-Zehnder interference in a bipolar hybrid monolayer-bilayer graphene junction Type A1 Journal article
  Year 2023 Publication Carbon Abbreviated Journal  
  Volume 201 Issue Pages 734-744  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Graphene matter in a strong magnetic field, realizing one-dimensional quantum Hall channels, provides a unique platform for studying electron interference. Here, using the Landauer-Buttiker formalism along with the tightbinding model, we investigate the quantum Hall (QH) effects in unipolar and bipolar monolayer-bilayer graphene (MLG-BLG) junctions. We find that a Hall bar made of an armchair MLG-BLG junction in the bipolar regime results in valley-polarized edgechannel interferences and can operate a fully tunable Mach-Zehnder (MZ) interferometer device. Investigation of the bar-width and magnetic-field dependence of the conductance oscillations shows that the MZ interference in such structures can be drastically affected by the type of (zigzag) edge termination of the second layer in the BLG region [composed of vertical dimer or non-dimer atoms]. Our findings reveal that both interfaces exhibit a double set of Aharonov-Bohm interferences, with the one between two oppositely valley-polarized edge channels dominating and causing a large amplitude conductance oscillation ranging from 0 to 2e2/h. We explain and analyze our findings by analytically solving the Dirac-Weyl equation for a gated semi-infinite MLG-BLG junction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000868911500004 Publication Date 2022-09-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.9 Times cited (up) Open Access Not_Open_Access  
  Notes Approved Most recent IF: 10.9; 2023 IF: 6.337  
  Call Number UA @ admin @ c:irua:191516 Serial 7302  
Permanent link to this record
 

 
Author Lazarevic, N.; Baum, A.; Milosavljevic, A.; Peis, L.; Stumberger, R.; Bekaert, J.; Solajic, A.; Pesic, J.; Wang, A.; Scepanovic, M.; Abeykoon, A.M.M.; Milošević, M.V.; Petrovic, C.; Popovic, Z.V.; Hackl, R. url  doi
openurl 
  Title Evolution of lattice, spin, and charge properties across the phase diagram of Fe1-xSx Type A1 Journal article
  Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 106 Issue 9 Pages 094510-94519  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A Raman scattering study covering the entire substitution range of the FeSe1-xSx solid solution is presented. Data were taken as a function of sulfur concentration x for 0 <= x <= 1, of temperature and of scattering symmetry. All types of excitations including phonons, spins, and charges are analyzed in detail. It is observed that the energy and width of the iron-related B-1g phonon mode vary continuously across the entire range of sulfur substitution. The A(1g) chalcogenide mode disappears above x = 0.23 and reappears at a much higher energy for x = 0.69. In a similar way the spectral features appearing at finite doping in A(1g) symmetry vary discontinuously. The magnetic excitation centered at approximately 500 cm(-1) disappears above x = 0.23 where the A(1g) lattice excitations exhibit a discontinuous change in energy. The low-energy mode associated with fluctuations displays maximal intensity at the nematostructural transition and thus tracks the phase boundary.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000917933500004 Publication Date 2022-09-19  
  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  
  Impact Factor 3.7 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 3.7  
  Call Number UA @ admin @ c:irua:194397 Serial 7304  
Permanent link to this record
 

 
Author Kourmoulakis, G.; Michail, A.; Paradisanos, I.; Marie, X.; Glazov, M.M.; Jorissen, B.; Covaci, L.; Stratakis, E.; Papagelis, K.; Parthenios, J.; Kioseoglou, G. pdf  url
doi  openurl
  Title Biaxial strain tuning of exciton energy and polarization in monolayer WS2 Type A1 Journal Article
  Year 2023 Publication Applied Physics Letters Abbreviated Journal  
  Volume 123 Issue 22 Pages  
  Keywords A1 Journal Article; Condensed Matter Theory (CMT) ;  
  Abstract We perform micro-photoluminescence and Raman experiments to examine the impact of biaxial tensile strain on the optical properties of WS2 monolayers. A strong shift on the order of −130 meV per % of strain is observed in the neutral exciton emission at room temperature. Under near-resonant excitation, we measure a monotonic decrease in the circular polarization degree under the applied strain. We experimentally separate the effect of the strain-induced energy detuning and evaluate the pure effect coming from the biaxial strain. The analysis shows that the suppression of the circular polarization degree under the biaxial strain is related to an interplay of energy and polarization relaxation channels as well as to variations in the exciton oscillator strength affecting the long-range exchange interaction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001124156400003 Publication Date 2023-11-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4 Times cited (up) Open Access  
  Notes Hellenic Foundation for Research and Innovation, HFRI-FM17-3034 ; Approved Most recent IF: 4; 2023 IF: 3.411  
  Call Number CMT @ cmt @c:irua:202178 Serial 8991  
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 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 (up) 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 Soenen, M.; Bacaksiz, C.; Menezes, R.M.; Milošević, M.V. url  doi
openurl 
  Title Stacking-dependent topological magnons in bilayer CrI₃ Type A1 Journal article
  Year 2023 Publication Physical review materials Abbreviated Journal  
  Volume 7 Issue 2 Pages 024421-10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by the potential of atomically thin magnets towards achieving tunable high-frequency magnonics, we detail the spin-wave dispersion of bilayer CrI3. We demonstrate that the magnonic behavior of the bilayer strongly depends on its stacking configuration and the interlayer magnetic ordering, where a topological band gap opens in the dispersion caused by the Dzyaloshinskii-Moriya and Kitaev interactions, classifying bilayer CrI3 as a topological magnon insulator. We further reveal that both the size and the topology of the band gap in a CrI3 bilayer with an antiferromagnetic interlayer ordering are tunable by an external magnetic field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000943169600001 Publication Date 2023-02-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.4 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 3.4; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:195179 Serial 7338  
Permanent link to this record
 

 
Author Smeyers, R.; Milošević, M.V.; Covaci, L. url  doi
openurl 
  Title Strong gate-tunability of flat bands in bilayer graphene due to moiré encapsulation between hBN monolayers Type A1 Journal article
  Year 2023 Publication Nanoscale Abbreviated Journal  
  Volume 15 Issue 9 Pages 4561-4569  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract When using hexagonal boron-nitride (hBN) as a substrate for graphene, the resulting moire pattern creates secondary Dirac points. By encapsulating a multilayer graphene within aligned hBN sheets the controlled moire stacking may offer even richer benefits. Using advanced tight-binding simulations on atomistically-relaxed heterostructures, here we show that the gap at the secondary Dirac point can be opened in selected moire-stacking configurations, and is independent of any additional vertical gating of the heterostructure. On the other hand, gating can broadly tune the gap at the principal Dirac point, and may thereby strongly compress the first moire mini-band in width against the moire-induced gap at the secondary Dirac point. We reveal that in hBN-encapsulated bilayer graphene this novel mechanism can lead to isolated bands flatter than 10 meV under moderate gating, hence presenting a convenient pathway towards electronically-controlled strongly-correlated states on demand.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000933052600001 Publication Date 2023-02-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 6.7; 2023 IF: 7.367  
  Call Number UA @ admin @ c:irua:195249 Serial 7340  
Permanent link to this record
 

 
Author Miranda, L.P.; da Costa, D.R.; Peeters, F.M.; Costa Filho, R.N. pdf  url
doi  openurl
  Title Vacancy clustering effect on the electronic and transport properties of bilayer graphene nanoribbons Type A1 Journal article
  Year 2023 Publication Nanotechnology Abbreviated Journal  
  Volume 34 Issue 5 Pages 055706-55710  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Experimental realizations of two-dimensional materials are hardly free of structural defects such as e.g. vacancies, which, in turn, modify drastically its pristine physical defect-free properties. In this work, we explore effects due to point defect clustering on the electronic and transport properties of bilayer graphene nanoribbons, for AA and AB stacking and zigzag and armchair boundaries, by means of the tight-binding approach and scattering matrix formalism. Evident vacancy concentration signatures exhibiting a maximum amplitude and an universality regardless of the system size, stacking and boundary types, in the density of states around the zero-energy level are observed. Our results are explained via the coalescence analysis of the strong sizeable vacancy clustering effect in the system and the breaking of the inversion symmetry at high vacancy densities, demonstrating a similar density of states for two equivalent degrees of concentration disorder, below and above the maximum value.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000886630000001 Publication Date 2022-11-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.5 Times cited (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 3.5; 2023 IF: 3.44  
  Call Number UA @ admin @ c:irua:192030 Serial 7350  
Permanent link to this record
 

 
Author Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. doi  openurl
  Title Cation-controlled permeation of charged polymers through nanocapillaries Type A1 Journal article
  Year 2023 Publication Physical review E Abbreviated Journal Phys Rev E  
  Volume 107 Issue 3 Pages 034501-34510  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics simulations are used to study the effects of different cations on the permeation of charged polymers through flat capillaries with heights below 2 nm. Interestingly, we found that, despite being monovalent, Li+ , Na+ , and K+ cations have different effects on polymer permeation, which consequently affects their transmission speed throughout those capillaries. We attribute this phenomenon to the interplay of the cations' hydration free energies and the hydrodynamic drag in front of the polymer when it enters the capillary. Different alkali cations exhibit different surface versus bulk preferences in small clusters of water under the influence of an external electric field. This paper presents a tool to control the speed of charged polymers in confined spaces using cations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000955986000006 Publication Date 2023-03-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2470-0053 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.4 Times cited (up) Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.4; 2023 IF: 2.366  
  Call Number UA @ admin @ c:irua:196089 Serial 7586  
Permanent link to this record
 

 
Author Torun, E.; Paleari, F.; Milošević, M.V.; Wirtz, L.; Sevik, C. pdf  url
doi  openurl
  Title Intrinsic control of interlayer exciton generation in Van der Waals materials via Janus layers Type A1 Journal article
  Year 2023 Publication Nano letters Abbreviated Journal  
  Volume 23 Issue 8 Pages 3159-3166  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We demonstrate the possibility of engineering the optical properties of transition metal dichalcogenide heterobilayers when one of the constitutive layers has a Janus structure. We investigate different MoS2@Janus layer combinations using first-principles methods including excitons and exciton-phonon coupling. The direction of the intrinsic electric field from the Janus layer modifies the electronic band alignments and, consequently, the energy separation between dark interlayer exciton states and bright in-plane excitons. We find that in-plane lattice vibrations strongly couple the two states, so that exciton-phonon scattering may be a viable generation mechanism for interlayer excitons upon light absorption. In particular, in the case of MoS2@WSSe, the energy separation of the low-lying interlayer exciton from the in-plane exciton is resonant with the transverse optical phonon modes (40 meV). We thus identify this heterobilayer as a prime candidate for efficient generation of charge-separated electron-hole pairs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000969732100001 Publication Date 2023-04-10  
  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 (up) Open Access OpenAccess  
  Notes Approved Most recent IF: 10.8; 2023 IF: 12.712  
  Call Number UA @ admin @ c:irua:196034 Serial 8118  
Permanent link to this record
 

 
Author Kenawy, A.; Magnus, W.; Milošević, M.V.; Sorée, B. doi  openurl
  Title Voltage-controlled superconducting magnetic memory Type A1 Journal article
  Year 2019 Publication AIP advances T2 – 64th Annual Conference on Magnetism and Magnetic Materials (MMM), NOV 04-08, 2019, Las Vegas, NV Abbreviated Journal  
  Volume 9 Issue 12 Pages 125223  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Over the past few decades, superconducting circuits have been used to realize various novel electronic devices such as quantum bits, SQUIDs, parametric amplifiers, etc. One domain, however, where superconducting circuits fall short is information storage. Superconducting memories are based on the quantization of magnetic flux in superconducting loops. Standard implementations store information as magnetic flux quanta in a superconducting loop interrupted by two Josephson junctions (i.e., a SQUID). However, due to the large inductance required, the size of the SQUID loop cannot be scaled below several micrometers, resulting in low-density memory chips. Here, we propose a scalable memory consisting of a voltage-biased superconducting ring threaded by a half-quantum flux bias. By numerically solving the time-dependent Ginzburg-Landau equations, we show that applying a time-dependent bias voltage in the microwave range constitutes a writing mechanism to change the number of stored flux quanta within the ring. Since the proposed device does not require a large loop inductance, it can be scaled down, enabling a high-density memory technology. (C) 2019 Author(s).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000515525300002 Publication Date 2019-12-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2158-3226 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited (up) Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:167551 Serial 8740  
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