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Author Molnar, B.; Vasilopoulos, P.; Peeters, F.M. doi  openurl
  Title Spin-dependent transmission through a chain of rings : influence of a periodically modulated spin-orbit interaction strength or ring radius Type A1 Journal article
  Year 2004 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 85 Issue (up) 4 Pages 612-614  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study ballistic electron transport through a finite chain of quantum circular rings in the presence of spin-orbit interaction of strength alpha. For a single ring, the transmission and reflection coefficients are obtained analytically and from them the conductance for a chain of rings as a function of alpha and of the wave vector k of the incident electron. We show that due to destructive spin interferences, the chain can be totally opaque for certain ranges of k, the width of which depends on the value of alpha. A periodic modulation of the strength alpha or of the ring radius widens the gaps considerably and produces a nearly binary conductance output. (C) 2004 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000222855400034 Publication Date 2004-07-23  
  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 26 Open Access  
  Notes Approved Most recent IF: 3.411; 2004 IF: 4.308  
  Call Number UA @ lucian @ c:irua:94799 Serial 3085  
Permanent link to this record
 
 
Author Van Boxem, R.; Verbeeck, J.; Partoens, B. pdf  url
doi  openurl
  Title Spin effects in electron vortex states Type A1 Journal article
  Year 2013 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 102 Issue (up) 4 Pages 40010-40016  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract The recent experimental realization of electron vortex beams opens up a wide research domain previously unexplored. The present paper explores the relativistic properties of these electron vortex beams, and quantifies deviations from the scalar wave theory. It is common in electron optics to use the Schrodinger equation neglecting spin. The present paper investigates the role of spin and the total angular momentum J(z) and how it pertains to the vortex states. As an application, we also investigate if it is possible to use holographic reconstruction to create novel total angular momentum eigenstates in a transmission electron microscope. It is demonstrated that relativistic spin coupling effects disappear in the paraxial limit, and spin effects in holographically created electron vortex beams can only be exploited by using specialized magnetic apertures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000321118600011 Publication Date 2013-06-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 11 Open Access  
  Notes 312483 Esteem2; N246791 Countatoms; 278510 Vortex; esteem2jra1; esteem2jra3 ECASJO_; Approved Most recent IF: 1.957; 2013 IF: 2.269  
  Call Number UA @ lucian @ c:irua:109852 Serial 3087  
Permanent link to this record
 
 
Author Fleurov, V.; Ivanov, V.A.; Peeters, F.M.; Vagner, I.D. pdf  doi
openurl 
  Title Spin-engineered quantum dots Type A1 Journal article
  Year 2002 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E  
  Volume 14 Issue (up) 4 Pages 361-365  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Spatially nonhomogeneously spin polarized nuclei are proposed as a new mechanism to monitor electron states in a nanostructure, or as a means to create and, if necessary, reshape such nanostructures in the course of the experiment. We found that a polarization of nuclear spins may lift the spin polarization of the electron states in a nanostructure and, if sufficiently strong, leads to a polarization of the electron spins. Polarized nuclear spins may form an energy landscape capable of binding electrons with energy up to several meV and the localization radius > 100 Angstrom. (C) 2002 Elsevier Science B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher North-Holland Place of Publication Amsterdam Editor  
  Language Wos 000177511900003 Publication Date 2002-10-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1386-9477; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.221 Times cited 12 Open Access  
  Notes Approved Most recent IF: 2.221; 2002 IF: 1.107  
  Call Number UA @ lucian @ c:irua:104150 Serial 3088  
Permanent link to this record
 
 
Author Grujić, M.M.; Tadić, M.Z.; Peeters, F.M. url  doi
openurl 
  Title Spin-valley filtering in strained graphene structures with artificially induced carrier mass and spin-orbit coupling Type A1 Journal article
  Year 2014 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 113 Issue (up) 4 Pages 046601  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The interplay of massive electrons with spin-orbit coupling in bulk graphene results in a spin-valley dependent gap. Thus, a barrier with such properties can act as a filter, transmitting only opposite spins from opposite valleys. In this Letter we show that a strain induced pseudomagnetic field in such a barrier will enforce opposite cyclotron trajectories for the filtered valleys, leading to their spatial separation. Since spin is coupled to the valley in the filtered states, this also leads to spin separation, demonstrating a spin-valley filtering effect. The filtering behavior is found to be controllable by electrical gating as well as by strain.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000339620300013 Publication Date 2014-07-23  
  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 90 Open Access  
  Notes ; This work was supported by the Serbian Ministry of Education, Science, and Technological Development, the Flemish Science Foundation (FWO-V1), and the Methusalem program of the Flemish government. ; Approved Most recent IF: 8.462; 2014 IF: 7.512  
  Call Number UA @ lucian @ c:irua:118731 Serial 3104  
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Author Sahin, H.; Sivek, J.; Li, S.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Stone-Wales defects in silicene : formation, stability, and reactivity of defect sites Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 88 Issue (up) 4 Pages 045434-45436  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract During the synthesis of ultrathin materials with hexagonal lattice structure Stone-Wales (SW) type of defects are quite likely to be formed and the existence of such topological defects in the graphenelike structures results in dramatic changes of their electronic and mechanical properties. Here we investigate the formation and reactivity of such SW defects in silicene. We report the energy barrier for the formation of SW defects in freestanding (similar to 2.4 eV) and Ag(111)-supported (similar to 2.8 eV) silicene and found it to be significantly lower than in graphene (similar to 9.2 eV). Moreover, the buckled nature of silicene provides a large energy barrier for the healing of the SW defect and therefore defective silicene is stable even at high temperatures. Silicene with SW defects is semiconducting with a direct band gap of 0.02 eV and this value depends on the concentration of defects. Furthermore, nitrogen substitution in SW-defected silicene shows that the defect lattice sites are the least preferable substitution locations for the N atoms. Our findings show the easy formation of SW defects in silicene and also provide a guideline for band gap engineering in silicene-based materials through such defects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000322113300007 Publication Date 2013-07-23  
  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 93 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:109805 Serial 3162  
Permanent link to this record
 
 
Author Yang, W.; Nelissen, K.; Kong, M.; Zeng, Z.; Peeters, F.M. url  doi
openurl 
  Title Structure of binary colloidal systems confined in a quasi-one-dimensional channel Type A1 Journal article
  Year 2009 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 79 Issue (up) 4 Pages 041406,1-041406,6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The structural properties of a binary colloidal quasi-one-dimensional system confined in a narrow channel are investigated through modified Monte Carlo simulations. Two species of particles with different magnetic moment interact through a repulsive dipole-dipole force are confined in a quasi-one-dimensional channel. The impact of three decisive parameters (the density of particles, the magnetic-moment ratio, and the fraction between the two species) on the transition from disordered phase to crystal-like phases and the transitions among the different mixed phases are summarized in a phase diagram.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000265941300077 Publication Date 2009-04-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 11 Open Access  
  Notes Approved Most recent IF: 2.366; 2009 IF: 2.400  
  Call Number UA @ lucian @ c:irua:77021 Serial 3308  
Permanent link to this record
 
 
Author Katti, G.; Stucchi, M.; Velenis, D.; Sorée, B.; de Meyer, K.; Dehaene, W. doi  openurl
  Title Temperature-dependent modeling and characterization of through-silicon via capacitance Type A1 Journal article
  Year 2011 Publication IEEE electron device letters Abbreviated Journal Ieee Electr Device L  
  Volume 32 Issue (up) 4 Pages 563-565  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A semianalytical model of the through-silicon via (TSV) capacitance for elevated operating temperatures is derived and verified with electrical measurements. The effect of temperature on the increase in TSV capacitance over different technology parameters is explored, and it is shown that higher oxide thickness reduces the impact of temperature rise on TSV capacitance, while with low doped substrates, which are instrumental for reducing the TSV capacitance, the sensitivity of TSV capacitance to temperature is large and cannot be ignored.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000288664800045 Publication Date 2011-03-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0741-3106;1558-0563; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.048 Times cited 27 Open Access  
  Notes ; ; Approved Most recent IF: 3.048; 2011 IF: 2.849  
  Call Number UA @ lucian @ c:irua:89402 Serial 3498  
Permanent link to this record
 
 
Author Kao, K.-H.; Verhulst, A.S.; Van de Put, M.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; De Meyer, K. doi  openurl
  Title Tensile strained Ge tunnel field-effect transistors: k\cdot p material modeling and numerical device simulation Type A1 Journal article
  Year 2014 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 115 Issue (up) 4 Pages 044505-44508  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Group IV based tunnel field-effect transistors generally show lower on-current than III-V based devices because of the weaker phonon-assisted tunneling transitions in the group IV indirect bandgap materials. Direct tunneling in Ge, however, can be enhanced by strain engineering. In this work, we use a 30-band k.p method to calculate the band structure of biaxial tensile strained Ge and then extract the bandgaps and effective masses at Gamma and L symmetry points in k-space, from which the parameters for the direct and indirect band-to-band tunneling (BTBT) models are determined. While transitions from the heavy and light hole valence bands to the conduction band edge at the L point are always bridged by phonon scattering, we highlight a new finding that only the light-holelike valence band is strongly coupling to the conduction band at the Gamma point even in the presence of strain based on the 30-band k.p analysis. By utilizing a Technology Computer Aided Design simulator equipped with the calculated band-to-band tunneling BTBT models, the electrical characteristics of tensile strained Ge point and line tunneling devices are self-consistently computed considering multiple dynamic nonlocal tunnel paths. The influence of field-induced quantum confinement on the tunneling onset is included. Our simulation predicts that an on-current up to 160 (260) mu A/mu m can be achieved along with on/off ratio > 10(6) for V-DD = 0.5V by the n-type (p-type) line tunneling device made of 2.5% biaxial tensile strained Ge. (C) 2014 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000331210800113 Publication Date 2014-01-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 26 Open Access  
  Notes ; Authors would like to thank Dr. Mohammad Ali Pourghaderi for useful discussions on the nonparabolicity. Authors would also like to thank Professor Eddy Simoen and Dr. Yosuke Shimura for useful discussions about the validity of modeled bandgaps and effective masses. This work was also supported by IMEC's Industrial Affiliation Program. ; Approved Most recent IF: 2.068; 2014 IF: 2.183  
  Call Number UA @ lucian @ c:irua:115800 Serial 3505  
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Author Tyutyunnik, A.P.; Slobodin, B.V.; Samigullina, R.F.; Verberck, B.; Tarakina, N.V. doi  openurl
  Title K2CaV2O7 : a pyrovanadate with a new layered type of structure in the A2BV2O7 family Type A1 Journal article
  Year 2013 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T  
  Volume 42 Issue (up) 4 Pages 1057-1064  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The crystal structure of K2CaV2O7 prepared by a conventional solid-state reaction has been solved by a direct method and refined using Rietveld full profile fitting based on X-ray powder diffraction data. This compound crystallises in the triclinic space group (P (1) over bar, Z = 2) with unit cell constants a = 7.1577(1) angstrom, b = 10.5104(2) angstrom, c = 5.8187(1) angstrom, alpha = 106.3368(9)degrees, beta = 106.235(1)degrees, gamma = 71.1375(9)degrees. The structure can be described as infinite undulating CaV2O72- layers parallel to the ac plane, which consist of pairs of edge-sharing CaO6 octahedra connected to each other through V2O7 pyrogroups. The potassium atoms are positioned in two sites between the layers, with a distorted IX-fold coordination of oxygen atoms. The chemical composition obtained from the structural solution was confirmed by energy-dispersive X-ray analysis. The stability of compounds in the family of alkali metal calcium pyrovanadates is discussed based on an analysis of the correlation between anion and cation sizes and theoretical first-principles calculations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000312659200030 Publication Date 2012-10-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1477-9226;1477-9234; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.029 Times cited 3 Open Access  
  Notes ; N.V.T. acknowledges funding by the Bavarian Ministry of Sciences, Research and the Arts. B. V. was financially supported by the Flemish Science Foundation (FWO-Vlaanderen). ; Approved Most recent IF: 4.029; 2013 IF: 4.097  
  Call Number UA @ lucian @ c:irua:105945 Serial 3536  
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Author Ao, Z.M.; Hernández-Nieves, A.D.; Peeters, F.M.; Li, S. pdf  doi
openurl 
  Title The electric field as a novel switch for uptake/release of hydrogen for storage in nitrogen doped graphene Type A1 Journal article
  Year 2012 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 14 Issue (up) 4 Pages 1463-1467  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Nitrogen-doped graphene was recently synthesized and was reported to be a catalyst for hydrogen dissociative adsorption under a perpendicular applied electric field (F). In this work, the diffusion of H atoms on N-doped graphene, in the presence and absence of an applied perpendicular electric field, is studied using density functional theory. We demonstrate that the applied field can significantly facilitate the binding of hydrogen molecules on N-doped graphene through dissociative adsorption and diffusion on the surface. By removing the applied field the absorbed H atoms can be released efficiently. Our theoretical calculation indicates that N-doped graphene is a promising hydrogen storage material with reversible hydrogen adsorption/desorption where the applied electric field can act as a switch for the uptake/release processes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000298754500018 Publication Date 2011-11-21  
  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; WoS citing articles  
  Impact Factor 4.123 Times cited 67 Open Access  
  Notes ; Financial support of the Vice-Chancellor's Postdoctoral Research Fellowship Program (SIR50/PS19184) and the ECR grant (SIR30/PS24201) from the University of New South Wales are acknowledged. This work is also supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 4.123; 2012 IF: 3.829  
  Call Number UA @ lucian @ c:irua:96266 Serial 3578  
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Author Costamagna, S.; Neek-Amal, M.; Los, J.H.; Peeters, F.M. url  doi
openurl 
  Title Thermal rippling behavior of graphane Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue (up) 4 Pages 041408-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures, we show that hydrogenated graphene is an unrippled system in contrast to graphene. The height fluctuations are bounded, which is confirmed by a H(q) tending to a constant in the long wavelength limit instead of showing the characteristic scaling law q(4-eta)(eta similar or equal to 0.85) predicted by membrane theory. This unexpected behavior persists up to temperatures of at least 900 K and is a consequence of the fact that in graphane the thermal energy can be accommodated by in-plane bending modes, i.e., modes involving C-C-C bond angles in the buckled carbon layer, instead of leading to significant out-of-plane fluctuations that occur in graphene.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000306649200002 Publication Date 2012-07-23  
  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 46 Open Access  
  Notes ; We thank A. Fasolino, A. Dobry, and K. H. Michel for their useful comments. S.C. is supported by the Belgian Science Foundation (BELSPO). This work is supported by the ESF-EuroGRAPHENE project CONGRAN and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:100840 Serial 3630  
Permanent link to this record
 
 
Author Doria, M.M.; Romaguera, A.R. de C.; Milošević, M.V.; Peeters, F.M. doi  openurl
  Title Threefold onset of vortex loops in superconductors with a magnetic core Type A1 Journal article
  Year 2007 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 79 Issue (up) 4 Pages 47006,1-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000248980000014 Publication Date 2007-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 27 Open Access  
  Notes Approved Most recent IF: 1.957; 2007 IF: 2.206  
  Call Number UA @ lucian @ c:irua:69644 Serial 3658  
Permanent link to this record
 
 
Author Kong, M.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Transition between ground state and metastable states in classical two-dimensional atoms Type A1 Journal article
  Year 2002 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 65 Issue (up) 4 Pages 046602,1-13  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000175146600036 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1063-651X;1095-3787; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 51 Open Access  
  Notes Approved Most recent IF: 2.366; 2002 IF: 2.397  
  Call Number UA @ lucian @ c:irua:62440 Serial 3697  
Permanent link to this record
 
 
Author Papp, G.; Peeters, F.M. doi  openurl
  Title Tunable giant magnetoresistance with magnetic barriers Type A1 Journal article
  Year 2006 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 100 Issue (up) 4 Pages 043707,1-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000240236800056 Publication Date 2006-09-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 49 Open Access  
  Notes Approved Most recent IF: 2.068; 2006 IF: 2.316  
  Call Number UA @ lucian @ c:irua:60812 Serial 3742  
Permanent link to this record
 
 
Author Milton Pereira, J.; Vasilopoulos, P.; Peeters, F.M. doi  openurl
  Title Tunable quantum dots in bilayer graphene Type A1 Journal article
  Year 2007 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 7 Issue (up) 4 Pages 946-949  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000245600500017 Publication Date 2007-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 167 Open Access  
  Notes Approved Most recent IF: 12.712; 2007 IF: 9.627  
  Call Number UA @ lucian @ c:irua:64118 Serial 3745  
Permanent link to this record
 
 
Author Liu, Y.; Cheng, F.; Li, X.J.; Peeters, F.M.; Chang, K. url  doi
openurl 
  Title Tuning of the two electron states in quantum rings through the spin-orbit interaction Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue (up) 4 Pages 1-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of the Coulomb interaction on the energy spectrum and anisotropic distribution of two electron states in a quantum ring in the presence of Rashba spin-orbit interaction (RSOI) and Dresselhaus SOI (DSOI) is investigated in the presence of a perpendicular magnetic field. We find that the interplay between the RSOI and DSOI makes the single quantum ring behaves like a laterally coupled quantum dot and the interdot coupling can be tuned by changing the strengths of the SOIs. The interplay can lead to singlet-triplet state mixing and anticrossing behavior when the singlet and triplet states meet with increasing magnetic field. The two electron ground state displays a bar-bell-like spatial anisotropic distribution in a quantum ring at a specific crystallographic direction, i.e., [110] or [11̅ 0], which can be switched by reversing the direction of the perpendicular electric field. The ground state exhibits a singlet-triplet state transition with increasing magnetic field and strengths of RSOI and DSOI. An anisotropic electron distribution is predicted which can be detected through the measurement of its optical properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000280234100006 Publication Date 2010-07-22  
  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 14 Open Access  
  Notes ; This work was supported by NSFC under Grants No. 60525405 and No. 10874175 and the Belgium Science Policy (IAP). ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:84087 Serial 3756  
Permanent link to this record
 
 
Author Yang, W.; Kong, M.; Milošević, M.V.; Zeng, Z.; Peeters, F.M. url  doi
openurl 
  Title Two-dimensional binary clusters in a hard-wall trap: structural and spectral properties Type A1 Journal article
  Year 2007 Publication Physical review E Abbreviated Journal Phys Rev E  
  Volume 76 Issue (up) 4 Pages art.041404:part 1  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000250621900066 Publication Date 2007-10-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 9 Open Access  
  Notes Approved Most recent IF: 2.366; 2007 IF: 2.483  
  Call Number UA @ lucian @ c:irua:67325 Serial 3772  
Permanent link to this record
 
 
Author Pereira, J.M.; Peeters, F.M.; Costa Filho, R.N.; Farias, G.A. doi  openurl
  Title Valley polarization due to trigonal warping on tunneling electrons in graphene Type A1 Journal article
  Year 2009 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 21 Issue (up) 4 Pages 045301,1-045301,4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of trigonal warping on the transmission of electrons tunneling through potential barriers in graphene is investigated. We present calculations of the transmission coefficient for single and double barriers as a function of energy, incidence angle and barrier heights. The results show remarkable valley-dependent directional effects for barriers oriented parallel to the armchair or parallel to the zigzag direction. These results indicate that electrostatic gates can be used as valley filters in graphene-based devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000262354700004 Publication Date 2008-12-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 78 Open Access  
  Notes Approved Most recent IF: 2.649; 2009 IF: 1.964  
  Call Number UA @ lucian @ c:irua:75736 Serial 3834  
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Author Szafran, B.; Poniedziałek, M.R.; Peeters, F.M. doi  openurl
  Title Violation of Onsager symmetry for a ballistic channel Coulomb coupled to a quantum ring Type A1 Journal article
  Year 2009 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 87 Issue (up) 4 Pages 47002,1-47002,6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate a scattering of electron which is injected individually into an empty ballistic channel containing a cavity that is Coulomb coupled to a quantum ring charged with a single electron. We solve the time-dependent Schrödinger equation for the electron pair with an exact account for the electron-electron correlation. Absorption of energy and angular momentum by the quantum ring is not an even function of the external magnetic field. As a consequence we find that the electron backscattering probability is asymmetric in the magnetic field and thus violates Onsager symmetry.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000270146400017 Publication Date 2009-09-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 4 Open Access  
  Notes Approved Most recent IF: 1.957; 2009 IF: 2.893  
  Call Number UA @ lucian @ c:irua:79734 Serial 3847  
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Author Verhulst, A.S.; Verreck, D.; Pourghaderi, M.A.; Van de Put, M.; Sorée, B.; Groeseneken, G.; Collaert, N.; Thean, A.V.-Y. url  doi
openurl 
  Title Can p-channel tunnel field-effect transistors perform as good as n-channel? Type A1 Journal article
  Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 105 Issue (up) 4 Pages 043103  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We show that bulk semiconductor materials do not allow perfectly complementary p- and n-channel tunnel field-effect transistors (TFETs), due to the presence of a heavy-hole band. When tunneling in p-TFETs is oriented towards the gate-dielectric, field-induced quantum confinement results in a highest-energy subband which is heavy-hole like. In direct-bandgap IIIV materials, the most promising TFET materials, phonon-assisted tunneling to this subband degrades the subthreshold swing and leads to at least 10x smaller on-current than the desired ballistic on-current. This is demonstrated with quantum-mechanical predictions for p-TFETs with tunneling orthogonal to the gate, made out of InP, In0.53Ga0.47As, InAs, and a modified version of In0.53Ga0.47As with an artificially increased conduction-band density-of-states. We further show that even if the phonon-assisted current would be negligible, the build-up of a heavy-hole-based inversion layer prevents efficient ballistic tunneling, especially at low supply voltages. For p-TFET, a strongly confined n-i-p or n-p-i-p configuration is therefore recommended, as well as a tensily strained line-tunneling configuration. (C) 2014 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000341152600067 Publication Date 2014-07-30  
  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 8 Open Access  
  Notes ; This work was supported by imec's industrial application program. D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT). ; Approved Most recent IF: 3.411; 2014 IF: 3.302  
  Call Number UA @ lucian @ c:irua:134433 Serial 4587  
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Author Fernandez, M.S.; Peeters, F.M.; Neek-Amal, M. url  doi
openurl 
  Title Electric-field-induced structural changes in water confined between two graphene layers Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue (up) 4 Pages 045436  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract An external electric field changes the physical properties of polar liquids due to the reorientation of their permanent dipoles. Using molecular dynamics simulations, we predict that an in-plane electric field applied parallel to the channel polarizes water molecules which are confined between two graphene layers, resulting in distinct ferroelectricity and electrical hysteresis. We found that electric fields alter the in-plane order of the hydrogen bonds: Reversing the electric field does not restore the system to the nonpolar initial state, instead a residual dipole moment remains in the system. The square-rhombic structure of 2D ice is transformed into two rhombic-rhombic structures. Our study provides insights into the ferroelectric state of water when confined in nanochannels and shows how this can be tuned by an electric field.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000381485200005 Publication Date 2016-07-27  
  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 31 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:144684 Serial 4649  
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Author Milovanović, S.P.; Tadic, M.Z.; Peeters, F.M. doi  openurl
  Title Graphene membrane as a pressure gauge Type A1 Journal article
  Year 2017 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 111 Issue (up) 4 Pages 043101  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Straining graphene results in the appearance of a pseudo-magnetic field which alters its local electronic properties. Applying a pressure difference between the two sides of the membrane causes it to bend/bulge resulting in a resistance change. We find that the resistance changes linearly with pressure for bubbles of small radius while the response becomes non-linear for bubbles that stretch almost to the edges of the sample. This is explained as due to the strong interference of propagating electronic modes inside the bubble. Our calculations show that high gauge factors can be obtained in this way which makes graphene a good candidate for pressure sensing. Published by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000406779700035 Publication Date 2017-07-24  
  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 11 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem program, the Erasmus+ programme, and the Serbian Ministry of Education, Science and Technological Development. ; Approved Most recent IF: 3.411  
  Call Number UA @ lucian @ c:irua:145202 Serial 4718  
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Author Lane, T.L.M.; Andelkovic, M.; Wallbank, J.R.; Covaci, L.; Peeters, F.M.; Fal'ko, V.I. url  doi
openurl 
  Title Ballistic electron channels including weakly protected topological states in delaminated bilayer graphene Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 97 Issue (up) 4 Pages 045301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('We show that delaminations in bilayer graphene (BLG) with electrostatically induced interlayer symmetry can provide one with ballistic channels for electrons with energies inside the electrostatically induced BLG gap. These channels are formed by a combination of valley-polarized evanescent states propagating along the delamination edges (which persist in the presence of a strong magnetic field) and standing waves bouncing between them inside the delaminated region (in a strong magnetic field, these transform into Landau levels in the monolayers). For inverted stackings in BLGs on the left and right of the delamination (AB-2ML-BA or BA-2ML-AB, where 2ML indicates two decoupled monolayers of graphene), the lowest-energy ballistic channels are gapless, have linear dispersion, and appear to be weakly topologically protected. When BLG stackings on both sides of the delamination are the same (AB-2ML-AB or BA-2ML-BA), the lowest-energy ballistic channels are gapped, with a gap epsilon(g) scaling as epsilon(g) alpha W-1 with delamination width and epsilon(g) alpha delta(-1) with the on-layer energy difference in the delaminated part of the structure. Depending on the width, delaminations may also support several \u0022higher-energy\u0022 waveguide modes. Our results are based on both the analytical study of the wave matching of Dirac states and tight-binding model calculations, and we analyze in detail the dependence of the delamination spectrum on the electrostatic conditions in the structure, such as the vertical displacement field.'));  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000419772200005 Publication Date 2018-01-11  
  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 11 Open Access  
  Notes ; This work was funded by EPSRC via EPSRC Grand Engineering Chellenges Grant No. EP/N010345, the Manchester NOWNANO CDT EP/L-1548X, the Flemish Science Foundation (FWO-VI), the European Graphene Flagship project, ERC Synergy grant Hetero2D, and FLAG-ERA project TRANS2DTMD. The authors would like to acknowledge useful discussions with M. Zarenia, S. Slizovskiy, E. McCann, and K. Novesolov. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:148441UA @ admin @ c:irua:148441 Serial 4868  
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Author Lombardo, J.; Jelić, Ž.L.; Baumans, X.D.A.; Scheerder, J.E.; Nacenta, J.P.; Moshchalkov, V.V.; Van de Vondel, J.; Kramer, R.B.G.; Milošević, M.V.; Silhanek, A.V. url  doi
openurl 
  Title In situ tailoring of superconducting junctions via electro-annealing Type A1 Journal article
  Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 10 Issue (up) 4 Pages 1987-1996  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We demonstrate the in situ engineering of superconducting nanocircuitry by targeted modulation of material properties through high applied current densities. We show that the sequential repetition of such customized electro-annealing in a niobium (Nb) nanoconstriction can broadly tune the superconducting critical temperature T-c and the normal-state resistance R-n in the targeted area. Once a sizable R-n is reached, clear magneto-resistance oscillations are detected along with a Fraunhofer-like field dependence of the critical current, indicating the formation of a weak link but with further adjustable characteristics. Advanced Ginzburg-Landau simulations fully corroborate this picture, employing the detailed parametrization from the electrical characterization and high resolution electron microscope images of the region within the constriction where the material has undergone amorphization by electro-annealing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000423355300049 Publication Date 2017-12-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 23 Open Access  
  Notes ; The authors thank the Fonds de la Recherche Scientifique – FNRS, the ARC grant 13/18-08 for Concerted Research Actions, financed by the French Community of Belgium (Wallonia-Brussels Federation), the Research Foundation – Flanders (FWO-Vlaanderen) and the COST action NanoCoHybri (CA16218). The work is also suppported by Methusalem Funding by the Flemish Government. J. Lombardo acknowledges support from F. R. S.-FNRS (FRIA Research Fellowship). The LANEF framework (ANR-10-LABX-51-01) and the Nanoscience Foundation are acknowledged for their support with mutualized infrastructure. The work of A. V. Silhanek is partially supported by PDR T.0106.16 of the F. R. S.-FNRS. The authors thank the ULg Microscopy facility CAREM for part of the SEM investigations. ; Approved Most recent IF: 7.367  
  Call Number UA @ lucian @ c:irua:149315UA @ admin @ c:irua:149315 Serial 4937  
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Author Domingos, J.L.C.; Peeters, F.M.; Ferreira, W.P. url  doi
openurl 
  Title Self-assembly and clustering of magnetic peapod-like rods with tunable directional interaction Type A1 Journal article
  Year 2018 Publication PLoS ONE Abbreviated Journal Plos One  
  Volume 13 Issue (up) 4 Pages e0195552  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Based on extensive Langevin Dynamics simulations we investigate the structural properties of a two-dimensional ensemble of magnetic rods with a peapod-like morphology, i.e, rods consisting of aligned single dipolar beads. Self-assembled configurations are studied for different directions of the dipole with respect to the rod axis. We found that with increasing misalignment of the dipole from the rod axis, the smaller the packing fraction at which the percolation transition is found. For the same density, the system exhibits different aggregation states for different misalignment. We also study the stability of the percolated structures with respect to temperature, which is found to be affected by the microstructure of the assembly of rods.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-6203 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.806 Times cited Open Access  
  Notes Approved Most recent IF: 2.806  
  Call Number UA @ lucian @ c:irua:150778UA @ admin @ c:irua:150778 Serial 4977  
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Author Demiroglu, I.; Peeters, F.M.; Gulseren, O.; Cakir, D.; Sevik, C. doi  openurl
  Title Alkali metal intercalation in MXene/graphene heterostructures : a new platform for ion battery applications Type A1 Journal article
  Year 2019 Publication The journal of physical chemistry letters Abbreviated Journal J Phys Chem Lett  
  Volume 10 Issue (up) 4 Pages 727-734  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The adsorption and diffusion of Na, K, and Ca atoms on MXene/graphene heterostructures of MXene systems Sc2C(OH)(2), Ti2CO2, and V2CO2 are systematically investigated by using first-principles methods. We found that alkali metal intercalation is energetically favorable and thermally stable for Ti2CO2/graphene and V2CO2/graphene heterostructures but not for Sc2C(OH)(2). Diffusion kinetics calculations showed the advantage of MXene/graphene heterostructures over sole MXene systems as the energy barriers are halved for the considered alkali metals. Low energy barriers are found for Na and K ions, which are promising for fast charge/discharge rates. Calculated voltage profiles reveal that estimated high capacities can be fully achieved for Na ion in V2CO2/graphene and Ti2CO2/graphene heterostructures. Our results indicate that Ti2CO2/graphene and V2CO2/graphene electrode materials are very promising for Na ion battery applications. The former could be exploited for low voltage applications while the latter will be more appropriate for higher voltages.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000459948800005 Publication Date 2019-01-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.353 Times cited 67 Open Access  
  Notes ; We acknowledge the support from the TUBITAK (116F080) and the BAGEP Award of the Science Academy. Part of this work was supported by the FLAG -ERA project TRANS-2D-TMD. A part of this work was supported by University of North Dakota Early Career Award (Grant number: 20622-4000-02624). We also acknowledge financial support from ND EPSCoR through NSF grant OIA-1355466. Computational resources were provided by the High Performance and Grid Computing Center (TRGrid e-Infrastructure) of TUBITAK ULAKBIM, the National Center for High Performance Computing (UHeM) of Istanbul Technical University, and Computational Research Center (HPC Linux cluster) at the University of North Dakota. This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User Facility, and supported by the U.S. Department of Energy, Office of Science, under contract no. DE-AC02-06CH11357. ; Approved Most recent IF: 9.353  
  Call Number UA @ admin @ c:irua:158618 Serial 5194  
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Author Abdullah, H.M.; da Costa, D.R.; Bahlouli, H.; Chaves, A.; Peeters, F.M.; Van Duppen, B. url  doi
openurl 
  Title Electron collimation at van der Waals domain walls in bilayer graphene Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 100 Issue (up) 4 Pages 045137  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We show that a domain wall separating single-layer graphene and AA-stacked bilayer graphene (AA-BLG) can be used to generate highly collimated electron beams which can be steered by a magnetic field. Two distinct configurations are studied, namely, locally delaminated AA-BLG and terminated AA-BLG whose terminal edge types are assumed to be either zigzag or armchair. We investigate the electron scattering using semiclassical dynamics and verify the results independently with wave-packet dynamics simulations. We find that the proposed system supports two distinct types of collimated beams that correspond to the lower and upper cones in AA-BLG. Our computational results also reveal that collimation is robust against the number of layers connected to AA-BLG and terminal edges.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000477892800005 Publication Date 2019-07-29  
  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 ; H.M.A. and H.B. acknowledge the support of King Fahd University of Petroleum and Minerals under research group Project No. RG181001. D.R.C and A.C. were financially supported by the Brazilian Council for Research (CNPq) and CAPES foundation. B.V.D. is supported by a postdoctoral fellowship by the Research Foundation Flanders (FWO-Vl). ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:161887 Serial 5410  
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Author Yagmurcukardes, M.; Sevik, C.; Peeters, F.M. url  doi
openurl 
  Title Electronic, vibrational, elastic, and piezoelectric properties of monolayer Janus MoSTe phases: A first-principles study Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 100 Issue (up) 4 Pages 045415  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By performing density functional theory based first-principles calculations, the electronic, vibrational, elastic, and piezoelectric properties of two dynamically stable crystal phases of monolayer Janus MoSTe, namely 1H-MoSTe and 1T'-MoSTe, are investigated. Vibrational frequency analysis reveals that the other possible crystal structure, 1T-MoSTe, of this Janus monolayer does not exhibit dynamical stability. The 1H-MoSTe phase is found to be an indirect band-gap semiconductor while 1T'-MoSTe is predicted as small-gap semiconductor. Notably, in contrast to the direct band-gap nature of monolayers 1H-MoS2 and 1H-MoTe2, 1H-MoSTe is found to be an indirect gap semiconductor driven by the induced surface strains on each side of the structure. The calculated Raman spectrum of each structure shows unique character enabling us to clearly distinguish the stable crystal phases via Raman measurements. The systematic piezoelectric stress and strain coefficient analysis reveals that out-of-plane piezoelectricity appears in 1H-MoSTe and the noncentral symmetric 1T'-MoSTe has large piezoelectric coefficients. Static total-energy calculations show clearly that the formation of 1T'-MoSTe is feasible by using 1T'-MoTe2 as a basis monolayer. Therefore, we propose that the Janus MoSTe structure can be fabricated in two dynamically stable phases which possess unique electronic, dynamical, and piezoelectric properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000476687800003 Publication Date 2019-07-19  
  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; WoS citing articles  
  Impact Factor 3.836 Times cited 91 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). This work was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:161899 Serial 5411  
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Author Van Pottelberge, R.; Moldovan, D.; Milovanović, S.P.; Peeters, F.M. pdf  doi
openurl 
  Title Molecular collapse in monolayer graphene Type A1 Journal article
  Year 2019 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 6 Issue (up) 4 Pages 045047  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Atomic collapse is a phenomenon inherent to relativistic quantum mechanics where electron states dive in the positron continuum for highly charged nuclei. This phenomenon was recently observed in graphene. Here we investigate a novel collapse phenomenon when multiple sub- and supercritical charges of equal strength are put close together as in a molecule. We construct a phase diagram which consists of three distinct regions: (1) subcritical, (2) frustrated atomic collapse, and (3) molecular collapse. We show that the single impurity atomic collapse resonances rearrange themselves to form molecular collapse resonances which exhibit a distinct bonding, anti-bonding and non-bonding character. Here we limit ourselves to systems consisting of two and three charges. We show that by tuning the distance between the charges and their strength a high degree of control over the molecular collapse resonances can be achieved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000487692200003 Publication Date 2019-08-30  
  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 6.937 Times cited 6 Open Access  
  Notes ; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research Grant for RVP and a postdoctoral Grant for SPM. ; Approved Most recent IF: 6.937  
  Call Number UA @ admin @ c:irua:163756 Serial 5422  
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Author Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. url  doi
openurl 
  Title Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms Type A1 Journal article
  Year 2020 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys  
  Volume 22 Issue (up) 4 Pages 2249-2261  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000510729400042 Publication Date 2019-12-24  
  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; WoS citing articles  
  Impact Factor 3.3 Times cited 18 Open Access  
  Notes ; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ; Approved Most recent IF: 3.3; 2020 IF: 4.123  
  Call Number UA @ admin @ c:irua:166553 Serial 6476  
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