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Author Helm, M.; Hilber, W.; Fromherz, T.; Peeters, F.M.; Alavi, K.; Pathak, R.N. doi  openurl
  Title Bloch and localized electrons in semiconductor superlattices Type A1 Journal article
  Year 1994 Publication Semiconductor science and technology Abbreviated Journal Semicond Sci Tech  
  Volume 9 Issue Pages 1989-1993  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1994PT27100023 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0268-1242;1361-6641; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.19 Times cited 1 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:9370 Serial 244  
Permanent link to this record
 

 
Author Peeters, F.M.; Devreese, J.T. doi  openurl
  Title Hot magneto-phonon and electro-phonon resonances in heterostructures Type A1 Journal article
  Year 1992 Publication Semiconductor science and technology: B Abbreviated Journal Semicond Sci Tech  
  Volume 7 Issue Pages 15-20  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992HL26200006 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0268-1242;1361-6641; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.19 Times cited 12 Open Access  
  Notes Approved CHEMISTRY, MEDICINAL 9/59 Q1 # CHEMISTRY, MULTIDISCIPLINARY 40/163 Q1 # COMPUTER SCIENCE, INFORMATION SYSTEMS 6/144 Q1 # COMPUTER SCIENCE, INTERDISCIPLINARY 10/104 Q1 #  
  Call Number UA @ lucian @ c:irua:2897 Serial 1491  
Permanent link to this record
 

 
Author Pereira, J.M.; Peeters, F.M.; Chaves, A.; Farias, G.A. pdf  doi
openurl 
  Title Klein tunneling in single and multiple barriers in graphene Type A1 Journal article
  Year 2010 Publication Semiconductor science and technology Abbreviated Journal Semicond Sci Tech  
  Volume 25 Issue 3 Pages 033002,1-033002,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We review the transmission properties of carriers interacting with potential barriers in graphene. The tunneling of electrons and holes in quantum structures in graphene is found to display features that are in marked contrast with those of other systems. In particular, the interaction between the carriers with electrostatic potential barriers can be related to the propagation of electromagnetic waves in media with negative refraction indices, also known as metamaterials. This behavior becomes evident as one calculates the time evolution of wavepackets propagating across the barrier interface. In addition, we discuss the effect of trigonal warping on the tunneling through potential barriers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000274318300004 Publication Date 2010-02-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0268-1242;1361-6641; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.305 Times cited 83 Open Access  
  Notes ; We want to acknowledge our collaborators in this work: P Vasilopoulos and M Barbier. This work was supported by the Brazilian Council for Research (CNPq), the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 2.305; 2010 IF: 1.333  
  Call Number UA @ lucian @ c:irua:80961 Serial 1764  
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Author Kastalsky, A.; Peeters, F.M.; Chan, W.K.; Florez, L.T.; Harbison, J.P. doi  openurl
  Title Novel nonlinear transport phenomena in a triangular quantum well Type A1 Journal article
  Year 1992 Publication Semiconductor science and technology: B Abbreviated Journal Semicond Sci Tech  
  Volume 7 Issue Pages 530-532  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992HL26200140 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0268-1242;1361-6641; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.19 Times cited 4 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:3027 Serial 2380  
Permanent link to this record
 

 
Author Xu, W.; Peeters, F.M.; Devreese, J.T. openurl 
  Title Warm-electron transport in a two-dimensional semiconductor Type A1 Journal article
  Year 1992 Publication Semiconductor science and technology Abbreviated Journal Semicond Sci Tech  
  Volume 7 Issue Pages 1251-1256  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1992JT73000006 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0268-1242 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.19 Times cited 3 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:2915 Serial 3903  
Permanent link to this record
 

 
Author Zebrowski, D.P.; Peeters, F.M.; Szafran, B. pdf  doi
openurl 
  Title Driven spin transitions in fluorinated single- and bilayer-graphene quantum dots Type A1 Journal article
  Year 2017 Publication Semiconductor science and technology Abbreviated Journal Semicond Sci Tech  
  Volume 32 Issue 6 Pages 065016  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Spin transitions driven by a periodically varying electric potential in dilute fluorinated graphene quantum dots are investigated. Flakes of monolayer graphene as well as electrostatic electron traps induced in bilayer graphene are considered. The stationary states obtained within the tight-binding approach are used as the basis for description of the system dynamics. The dilute fluorination of the top layer lifts the valley degeneracy of the confined states and attenuates the orbital magnetic dipole moments due to current circulation within the flake. The spin-orbit coupling introduced by the surface deformation of the top layer induced by the adatoms allows the spin flips to be driven by the AC electric field. For the bilayer quantum dots the spin flip times is substantially shorter than the spin relaxation. Dynamical effects including many-photon and multilevel transitions are also discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000402405800007 Publication Date 2017-04-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0268-1242 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.305 Times cited Open Access  
  Notes ; This work was supported by the National Science Centre according to decision DEC-2013/11/B/ST3/03837 and by the Flemish Science Foundation (FWO-VL). ; Approved Most recent IF: 2.305  
  Call Number UA @ lucian @ c:irua:144238 Serial 4646  
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Author Veljkovic, D.; Tadić, M.; Peeters, F.M. openurl 
  Title Intersublevel absorption in stacked n-type doped self-assembled quantum dots Type A1 Journal article
  Year 2005 Publication Materials science forum Abbreviated Journal Mater Sci Forum  
  Volume 494 Issue Pages 37-42  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The intersublevel absorption in n-doped InAs/GaAs self-assembled quantum-dot molecules composed of three quantum dots is theoretically considered. The transition matrix elements and the transition energies are found to vary considerably with the spacer thickness. For s polarized light, decreasing the thickness of the spacer between the dots brings about crossings between the transition matrix elements, but the overall absorption is not affected by the variation of the spacer thickness. For p-polarized light and thick spacers, there are no available transitions in the single quantum dot, but a few of them emerge as a result of the electron state splitting in the stacks of coupled quantum dots, which leads to a considerable increase of the transition matrix elements, exceeding by an order of magnitude values of the matrix elements for s-polarized light.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0255-5476; 1662-9752 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:94746 Serial 1715  
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Author Partoens, B.; Matulis, A.; Peeters, F.M. openurl 
  Title Magnetoplasma excitations in vertically coupled quantum dot systems Type A1 Journal article
  Year 1999 Publication Materials science forum Abbreviated Journal Mater Sci Forum  
  Volume 297/298 Issue Pages 225-228  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000080081600043 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0255-5476; 1662-9752 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:24176 Serial 1920  
Permanent link to this record
 

 
Author Topalovic, D.B.; Arsoski, V.V.; Pavlovic, S.; Cukaric, N.A.; Tadic, M.Z.; Peeters, F.M. pdf  openurl
  Title On improving accuracy of finite-element solutions of the effective-mass Schrodinger equation for interdiffused quantum wells and quantum wires Type A1 Journal article
  Year 2016 Publication Communications in theoretical physics Abbreviated Journal Commun Theor Phys  
  Volume 65 Issue 1 Pages 105-113  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We use the Galerkin approach and the finite-element method to numerically solve the effective-mass Schrodinger equation. The accuracy of the solution is explored as it varies with the range of the numerical domain. The model potentials are those of interdiffused semiconductor quantum wells and axially symmetric quantum wires. Also, the model of a linear harmonic oscillator is considered for comparison reasons. It is demonstrated that the absolute error of the electron ground state energy level exhibits a minimum at a certain domain range, which is thus considered to be optimal. This range is found to depend on the number of mesh nodes N approximately as alpha(0) log(e)(alpha 1) (alpha N-2), where the values of the constants alpha(0), alpha(1), and alpha(2) are determined by fitting the numerical data. And the optimal range is found to be a weak function of the diffusion length. Moreover, it was demonstrated that a domain range adaptation to the optimal value leads to substantial improvement of accuracy of the solution of the Schrodinger equation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Wallingford Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0253-6102; 1572-9494 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.989 Times cited Open Access  
  Notes Approved Most recent IF: 0.989  
  Call Number UA @ lucian @ c:irua:133213 Serial 4216  
Permanent link to this record
 

 
Author Mattauch, S.; Heger, G.; Michel, K.H. pdf  doi
openurl 
  Title High resolution neutron and X-ray diffraction studies as a function of temperature and electric field of the ferroelectric phase transition of RDP Type A1 Journal article
  Year 2004 Publication Crystal research and technology Abbreviated Journal Cryst Res Technol  
  Volume 39 Issue 12 Pages 1027-1054  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Neutron and high resolution X-ray diffraction investigations on perfect single crystals of RbH2PO4 (RDP), a hydrogen bonded ferroelectric of KDP type are reported. The results of crystal structure analysis from diffraction data, below and above the paraelectric – ferroelectric phase transition, support a disorder – order character Of [PO4H2](-)-groups. The tetragonal symmetry of the paraelectric phase with the double well potential of the hydrogen atoms obtained by diffraction, results simply from a time-space average of orthorhombic symmetry. According to the group – subgroup relation between the tetragonal space group 142d and the orthorhombic Fdd2 a short range order of ferroelectric clusters in the tetragonal phase is observed. With decreasing temperature the ferroelectric clusters increase and the long range interaction between their local polarisation vectors leads to the formation of lamellar ferroelectric domains with alternating polarisation directions at T-C = 147 K. From the high resolution X-ray data it is concluded that below T-C the ferroelastic strain in the (a,b)-plane leads to micro-angle grain boundaries at the domain walls. The tilt angle is enhanced by an applied electric field parallel to the ferroelectric axis. The resulting dislocations at the domain walls persist in the paraelectric phase leading to a memory effect for the arrangement of twin lamellae. With increased electric field the phase transition temperature T-C is decreased.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000225681100001 Publication Date 2004-11-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0232-1300;1521-4079; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1 Times cited 12 Open Access  
  Notes Approved Most recent IF: 1; 2004 IF: 0.770  
  Call Number UA @ lucian @ c:irua:94785 Serial 1459  
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Author Maistrenko, Y.L.; Vasylenko, A.; Sudakov, O.; Levchenko, R.; Maistrenko, V.L. doi  openurl
  Title Cascades of multiheaded chimera states for coupled phase oscillators Type A1 Journal article
  Year 2014 Publication International journal of bifurcation and chaos in applied sciences and engineering Abbreviated Journal Int J Bifurcat Chaos  
  Volume 24 Issue 8 Pages 1440014  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Chimera state is a recently discovered dynamical phenomenon in arrays of nonlocally coupled oscillators, that displays a self-organized spatial pattern of coexisting coherence and incoherence. We discuss the appearance of the chimera states in networks of phase oscillators with attractive and with repulsive interactions, i.e. when the coupling respectively favors synchronization or works against it. By systematically analyzing the dependence of the spatiotemporal dynamics on the level of coupling attractivity/repulsivity and the range of coupling, we uncover that different types of chimera states exist in wide domains of the parameter space as cascades of the states with increasing number of intervals of irregularity, so-called chimera's heads. We report three scenarios for the chimera birth: (1) via saddle-node bifurcation on a resonant invariant circle, also known as SNIC or SNIPER, (2) via blue-sky catastrophe, when two periodic orbits, stable and saddle, approach each other creating a saddle-node periodic orbit, and (3) via homoclinic transition with complex multistable dynamics including an “eight-like” limit cycle resulting eventually in a chimera state.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Singapore Editor  
  Language Wos 000341494900015 Publication Date 2014-08-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0218-1274;1793-6551; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.329 Times cited Open Access  
  Notes Approved Most recent IF: 1.329; 2014 IF: 1.078  
  Call Number UA @ lucian @ c:irua:119303 Serial 285  
Permanent link to this record
 

 
Author Baelus, B.J.; Peeters, F.M. doi  openurl
  Title Multiply connected mesoscopic superconductors Type A1 Journal article
  Year 2003 Publication Modern physics letters B T2 – 3rd International Conference on Modern Problems in Superconductivity, SEP 09-14, 2002, YALTA, UKRAINE Abbreviated Journal Mod Phys Lett B  
  Volume 17 Issue 10-12 Pages 527-536  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Multiply connected mesoscopic: superconductors are considered within the framework of the nonlinear Ginzburg-Landau theory. The two coupled nonlinear equations are solved numerically and we investigated the properties of a superconducting ring, two concentric rings, and an asymmetric ring. We find that (i) for a mesoscopic superconducting ring the flux through the hole is not quantized, (ii) two concentric mesoscopic superconducting rings are magnetically coupled and the interaction energy increases with increasing sample thickness, and (iii) in asymmetric rings, a stationary phase slip state is predicted.  
  Address  
  Corporate Author Thesis  
  Publisher World scientific publ co pte ltd Place of Publication Singapore Editor  
  Language Wos 000184303900016 Publication Date 2003-07-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0217-9849;1793-6640; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 0.617 Times cited Open Access  
  Notes Approved Most recent IF: 0.617; 2003 IF: 0.461  
  Call Number UA @ lucian @ c:irua:103810 Serial 2236  
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Author Xu, W.; Peeters, F.M.; Devreese, J.T.; Leadley, D.R.; Nicholas, R.J. doi  openurl
  Title Destruction of magnetophonon resonance in high magnetic fields from impurity and phonon scattering in heterojunctions Type A1 Journal article
  Year 1996 Publication International journal of modern physics: B: condensed matter physics, statistical physics, applied physics Abbreviated Journal Int J Mod Phys B  
  Volume 10 Issue Pages 169-202  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Singapore Editor  
  Language Wos A1996TR56200002 Publication Date 2004-10-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0217-9792;1793-6578; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.937 Times cited 11 Open Access  
  Notes Approved CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #  
  Call Number UA @ lucian @ c:irua:15803 Serial 664  
Permanent link to this record
 

 
Author Tavernier, M.B.; Anisimovas, E.; Peeters, F.M. doi  openurl
  Title Electron-vortex interaction in a quantum dot Type A1 Journal article
  Year 2004 Publication International journal of modern physics: B: condensed matter physics, statistical physics, applied physics T2 – 16th International Conference on High Magnetic Fields in Semiconductor, Physics, AUG 02-06, 2004, Florida State Univ, NHMFL, Tallahassee, FL Abbreviated Journal Int J Mod Phys B  
  Volume 18 Issue 27-29 Pages 3633-3636  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Small numbers N < 5 of two-dimensional Coulomb-interacting electrons trapped in a parabolic potential placed in a perpendicular magnetic field are investigated. The reduced wave function of this system, which is obtained by fixing the positions of N-1 electrons, exhibits strong correlations between the electrons and the zeros. These zeros axe often called vortices. An exact-diagonalization scheme is used to obtain the wave functions and the results are compared with results obtained from the recently proposed rotating electron molecule (REM) theory. We find that the vortices gather around the fixed electrons and repel each other, which is to a much lesser extend so for the REM results.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Singapore Editor  
  Language Wos 000227140200035 Publication Date 2005-04-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0217-9792;1793-6578; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 0.736 Times cited Open Access  
  Notes Approved Most recent IF: 0.736; 2004 IF: 0.361  
  Call Number UA @ lucian @ c:irua:102749 Serial 992  
Permanent link to this record
 

 
Author Wang, X.F.; Vasilopoulos, P.; Peeters, F.M. doi  openurl
  Title Influence of spin-orbit interaction on the magnetotransport of a periodically modulated two-dimensional electron gas Type A1 Journal article
  Year 2004 Publication International journal of modern physics: B: condensed matter physics, statistical physics, applied physics T2 – 16th International Conference on High Magnetic Fields in Semiconductor, Physics, AUG 02-06, 2004, Florida State Univ, NHMFL, Tallahassee, FL Abbreviated Journal Int J Mod Phys B  
  Volume 18 Issue 27-29 Pages 3653-3656  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Transport properties of a two-dimensional electron gas (2DEG) are studied in the presence of a normal magnetic field B, of a weak one-dimensional (1D) periodic potential modulation V(x) = V(0)cos(Kx), and of the Rashba spin-orbit interaction (SOI) of strength a. For V(x) = 0 the SOI mixes the up and down spin states of neighboring Landau levels into two, unequally spaced energy branches. For V(x) not equal 0 these levels broaden into bands and their bandwidths oscillate with B. The n-th level bandwidth of each series vanishes at different values of B. Relative to the ID-modulated 2DEG without SOI and one flat-band condition, there are two flat-band conditions that depend on a and the transport coefficients can change considerably. For weak a the Weiss oscillations show beating patterns while for strong a the Shubnikov-de Haas ones axe split in two.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Singapore Editor  
  Language Wos 000227140200040 Publication Date 2005-04-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0217-9792;1793-6578; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 0.736 Times cited Open Access  
  Notes Approved Most recent IF: 0.736; 2004 IF: 0.361  
  Call Number UA @ lucian @ c:irua:103199 Serial 1633  
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Author Vasilopoulos, P.; Molnar, B.; Peeters, F.M. doi  openurl
  Title Magnetoconductance through a chain of rings in the presence of spin-orbit interaction Type A1 Journal article
  Year 2004 Publication International journal of modern physics: B: condensed matter physics, statistical physics, applied physics Abbreviated Journal Int J Mod Phys B  
  Volume 18 Issue 27-29 Pages 3661-3664  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ballistic electron transport through a finite chain of quantum circular rings is studied in the presence of the Rashba coupling, of strength a, and of a perpendicular magnetic field B. The transmission and reflection coefficients for a single ring, obtained analytically, help obtain the conductance through a chain of rings as a function of the strength a, the field B, and of the wave vector k of the incident electron. Due to destructive spin interferences caused by the Rashba coupling the chain can be totally opaque for certain ranges of k the width of which depends on values of a and B. Outside these ranges the conductance oscillates with high values between e(2)/h and 2e(2)/h. The effect of a periodic modulation of a or B on the conductance gaps is investigated. A periodic, square-wave conductance pattern, pertinent to the development of the spin transistor, results within wide stripes in the parameter space spanned by k, a, and B. Finite temperatures smoothen the square-wave profile of the conductance but do not alter its periodic character.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Singapore Editor  
  Language Wos 000227140200042 Publication Date 2005-04-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0217-9792;1793-6578; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.736 Times cited 2 Open Access  
  Notes Approved Most recent IF: 0.736; 2004 IF: 0.361  
  Call Number UA @ lucian @ c:irua:94787 Serial 1914  
Permanent link to this record
 

 
Author Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M. doi  openurl
  Title Superconducting nanowires: quantum-confinement effect on the critical magnetic field and supercurrent Type A1 Journal article
  Year 2009 Publication International journal of modern physics: B: condensed matter physics, statistical physics, applied physics T2 – 32nd International Workshop on Condensed Matter Theories, Aug 12-19, 2008, Loughborough Univ, Loughborough, England Abbreviated Journal Int J Mod Phys B  
  Volume 23 Issue 20-21 Pages 4257-4268  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)  
  Abstract We study the effect of electron confinement on the superconducting-to-normal phase transition driven by a magnetic field and/or on the current-carrying state of the superconducting condensate in nanowires. Our investigation is based on a self-consistent numerical solution of the Bogoliubov-de Gennes equations. We show that in a parallel magnetic field and/or in the presence of supercurrent the transition from superconducting to normal phase occurs as a cascade of discontinuous jumps in the superconducting order parameter for diameters D < 10 divided by 15 nm at T = 0. The critical magnetic field exhibits quantum-size oscillations with pronounced resonant enhancements.  
  Address  
  Corporate Author Thesis  
  Publisher World scientific Place of Publication Singapore Editor  
  Language Wos 000274525500026 Publication Date 2009-09-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0217-9792;1793-6578; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.736 Times cited 1 Open Access  
  Notes Approved Most recent IF: 0.736; 2009 IF: 0.408  
  Call Number UA @ lucian @ c:irua:95673 Serial 3362  
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Author Bussmann-Holder, A.; Michel, K.H. doi  openurl
  Title The isotope effect in hydrogen-bonded systems Type A1 Journal article
  Year 1998 Publication International journal of modern physics: B: condensed matter physics, statistical physics, applied physics T2 – 1st International Conference on New Theories, Discoveries, and, Applications of Superconductors and Related Materials (New3SC-1), FEB 19-24, 19 Abbreviated Journal Int J Mod Phys B  
  Volume 12 Issue 29-31 Pages 3406-3408  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The giant isotope effect on the ferro- and antiferroelectric transition temperature upon deuteration of hydrogen-bonded systems is well known experimentally since various decades. Yet, theoretically only recently a microscopic understanding of this effect has been achieved which, specifically, took into account the geometry of the O ... H ... O bond. The implications of this modeling are multiple as numerous hydrogen-bonded organic systems show the same effects as ferro- and antiferroelectrics, i.e., cooperative proton tunneling at a well-defined temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Singapore Editor  
  Language Wos 000079114500104 Publication Date 2003-10-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0217-9792;1793-6578; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 0.736 Times cited Open Access  
  Notes Approved Most recent IF: 0.736; 1998 IF: 0.987  
  Call Number UA @ lucian @ c:irua:102920 Serial 3589  
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Author Filinov, A.V.; Peeters, F.M.; Riva, C.; Lozovik, Y.E.; Bonitz, M. doi  openurl
  Title Exciton molecules in quantum wells : influence of the well width fluctuations Type A1 Journal article
  Year 2004 Publication Few-body systems T2 – 3rd International Workshop on Dynamics and Structure of Critically, Stable Quantum Few-Body Systems, SEP 01-05, 2003, Trento, ITALY Abbreviated Journal Few-Body Syst  
  Volume 34 Issue 1-3 Pages 149-154  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The influence of the well width fluctuations on the dependence of the binding energy of excitonic complexes in quantum wells is studied by using the path-integral Monte-Carlo technique. The results are compared with available experimental data and a good agreement is found.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Wien Editor  
  Language Wos 000222009500025 Publication Date 2004-05-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0177-7963;1432-5411; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.877 Times cited 2 Open Access  
  Notes Approved Most recent IF: 0.877; 2004 IF: 1.948  
  Call Number UA @ lucian @ c:irua:103232 Serial 1113  
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Author Peeters, F.M.; Szafran, B.; Chwiej, T.; Bednarek, S.; Adamowski, J. doi  openurl
  Title Stability of charged exciton states in quantum wires Type A1 Journal article
  Year 2006 Publication Few-body systems Abbreviated Journal Few-Body Syst  
  Volume 38 Issue 2/4 Pages 121-124  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Wien Editor  
  Language Wos 000238498200013 Publication Date 2006-05-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0177-7963;1432-5411; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.877 Times cited 3 Open Access  
  Notes Approved Most recent IF: 0.877; 2006 IF: 0.765  
  Call Number UA @ lucian @ c:irua:60035 Serial 3125  
Permanent link to this record
 

 
Author Peeters, F.M.; Riva, C.; Varga, K. doi  openurl
  Title Trions in quantum wells Type A1 Journal article
  Year 2002 Publication Few-body systems T2 – International Workshop on Dynamics and Structure of Critically Stable, Quantum Few-Body Systems, OCT 08-12, 2001, LES HOUCHES, FRANCE Abbreviated Journal Few-Body Syst  
  Volume 31 Issue 2-4 Pages 97-100  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The ground-state energy of three-particle systems consisting of electrons and holes as found in semiconducting quantum wells is studied. The degree of confinement is determined by the quantum-well width and we can vary the dimensionality of the system from two to three dimensions. The energy levels of the system can further be altered by the application of an external magnetic field which is directed perpendicular to the well.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Wien Editor  
  Language Wos 000176115900005 Publication Date 2003-03-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0177-7963;1432-5411; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.877 Times cited 2 Open Access  
  Notes Approved Most recent IF: 0.877; 2002 IF: 1.773  
  Call Number UA @ lucian @ c:irua:103378 Serial 3733  
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Author Aydin, H.; Bacaksiz, C.; Yagmurcukardes, N.; Karakaya, C.; Mermer, O.; Can, M.; Senger, R.T.; Sahin, H.; Selamet, Y. doi  openurl
  Title Experimental and computational investigation of graphene/SAMs/n-Si Schottky diodes Type A1 Journal article
  Year 2018 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 428 Issue 428 Pages 1010-1017  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We have investigated the effect of two different self-assembled monolayers (SAMs) on electrical characteristics of bilayer graphene (BLG)/n-Si Schottky diodes. Novel 4“bis(diphenylamino)-1, 1':3”-terpheny1-5' carboxylic acids (TPA) and 4,4-di-9H-carbazol-9-y1-1,1':3'1'-terpheny1-5' carboxylic acid (CAR) aromatic SAMs have been used to modify n-Si surfaces. Cyclic voltammetry (CV) and Kelvin probe force microscopy (KPFM) results have been evaluated to verify the modification of n-Si surface. The current-voltage (I-V) characteristics of bare and SAMs modified devices show rectification behaviour verifying a Schottky junction at the interface. The ideality factors (n) from ln(I)-V dependences were determined as 2.13,1.96 and 2.07 for BLG/n-Si, BLG/TPA/n-Si and BLG/CAR/n-Si Schottky diodes, respectively. In addition, Schottky barrier height (SBH) and series resistance (Rs) of SAMs modified diodes were decreased compared to bare diode due to the formation of a compatible interface between graphene and Si as well as n-n interaction between aromatic SAMs and graphene. The CAR-based device exhibits better diode characteristic compared to the TPA-based device. Computational simulations show that the BLG/CAR system exhibits smaller energy-level-differences than the BLG/TPA, which supports the experimental findings of a lower Schottky barrier and series resistance in BLG/CAR diode. (C) 2017 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000415227000128 Publication Date 2017-09-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited 2 Open Access  
  Notes ; This work was supported by TUBITAK (The Scientific and Technical Research Council of Turkey) with project number 112T946. We also thank AQuReC (Applied Quantum Research Center) for Raman measurements. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges support from Bilim Akademisi The Science Academy, Turkey under the BAGEP program. ; Approved Most recent IF: 3.387  
  Call Number UA @ lucian @ c:irua:154608UA @ admin @ c:irua:154608 Serial 5101  
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Author Sozen, Y.; Eren, I.; Ozen, S.; Yagmurcukardes, M.; Sahin, H. pdf  url
doi  openurl
  Title Interaction of Ge with single layer GaAs : from Ge-island nucleation to formation of novel stable monolayers Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 505 Issue Pages 144218-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this study, reactivity of single-layer GaAs against Ge atoms is studied by means of ab initio density functional theory calculations. Firstly, it is shown that Ge atoms interact quite strongly with the GaAs layer which allows the formation of Ge islands while it hinders the growth of detached germanene monolayers. It is also predicted that adsorption of Ge atoms on GaAs single-layer lead to formation of two novel stable single-layer crystal structures, namely 1H-GaGeAs and 1H(A)-GaGeAs. Both the total energy optimizations and the calculated vibrational spectra indicate the dynamical stability of both single layer structures. Moreover, although both structures crystallize in 1H phase, 1H-GaGeAs and 1H(A)-GaGeAs exhibit distinctive vibrational features in their Raman spectra which is quite important for distinguishing the structures. In contrast to the semiconducting nature of single-layer GaAs, both polytypes of GaGeAs exhibit metallic behavior confirmed by the electronic band dispersions. Furthermore, the linear-elastic constants, in-plane stiffness and Poisson ratio, reveal the ultrasoft nature of the GaAs and GaGeAs structures and the rigidity of GaAs is found to be slightly enhanced via Ge adsorption. With their stable, ultra-thin and metallic properties, predicted single-layer GaGeAs structures can be promising candidates for nanoscale electronic and mechanical applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000510846500026 Publication Date 2019-11-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0169-4332 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6.7 Times cited Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:167733 Serial 6548  
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Author Bafekry, A.; Akgenc, B.; Shayesteh, S.F.; Mortazavi, B. pdf  url
doi  openurl
  Title Tunable electronic and magnetic properties of graphene/carbon-nitride van der Waals heterostructures Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 505 Issue Pages 144450-144459  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this paper, we explore the electronic properties of C3N, C3N4 and C4N3 and graphene (Gr) van der Waals heterostructures by conducing extensive first-principles calculations. The acquired results show that these heterostructures can show diverse electronic properties, such as the metal (Gr on C3N), semiconductor with narrow band gap (Gr on C3N4) and ferromagnetic-metal (Gr on C4N3). We furthermore explored the effect of vacancies, atom substitution, topological, antisite and Stone-Wales defects on the structural and electronic properties of considered heterostructures. Our results show that the vacancy defects introduce localized states near the Fermi level and create a local magnetic moment. The Gr/C3N heterostructures with the single and double vacancy defects exhibit a ferromagnetic-metal, while Stone-Wales defects show an indirect semiconductor with the band gap of 0.2 eV. The effects of adsorption and insertion of O, C, Be, Cr, Fe and Co atoms on the electronic properties of Gr/C3N have been also elaborately studied. Our results highlight that the electronic and magnetic properties of garphene/carbon-nitride lateral heterostructures can be effectively modified by point defects and impurities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000510846500052 Publication Date 2019-11-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited 26 Open Access  
  Notes ; ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:167732 Serial 6638  
Permanent link to this record
 

 
Author Baskurt, M.; Eren, I.; Yagmurcukardes, M.; Sahin, H. pdf  doi
openurl 
  Title Vanadium dopant- and strain-dependent magnetic properties of single-layer VI₃ Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 508 Issue Pages 144937-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by the recent synthesis of two-dimensional VI3 [Kong et al. Adv. Mater. 31, 1808074 (2019)], we investigate the effect of V doping on the magnetic and electronic properties of monolayer VI3 by means of first-principles calculations. The dynamically stable semiconducting ferromagnetic (FM) and antiferromagnetic (AFM) phases of monolayer VI3 are found to display distinctive vibrational features that the magnetic state can be distinguished by Raman spectroscopy. In order to clarify the effect of experimentally observed excessive V atoms, the magnetic and electronic properties of the V-doped VI3 structures are analyzed. Our findings indicate that partially doped VI3 structures display FM ground state while the fully-doped structure exhibits AFM ground state. The fully-doped monolayer VI3 is found to be a semiconductor with a relatively larger band gap than its pristine structure. In addition, strain-dependent electronic and magnetic properties of fully- and partially-doped VI3 structures reveal that pristine monolayer displays a FM-to-AFM phase transition with robust semiconducting nature for 5% of compressive strain, while fully-doped monolayer VI3 structure possesses AFM-to-FM semiconducting transition at tensile strains larger than 4%. In contrast, the partially-doped VI3 monolayers are found to display robust FM ground state under biaxial strain. Its dopant and strain tunable electronic and magnetic nature makes monolayer VI3 a promising material for applications in nanoscale spintronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000516818700040 Publication Date 2019-12-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited 10 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:168595 Serial 6652  
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Author Obeid, M.M.; Bafekry, A.; Rehman, S.U.; Nguyen, C., V. pdf  doi
openurl 
  Title A type-II GaSe/HfS₂ van der Waals heterostructure as promising photocatalyst with high carrier mobility Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 534 Issue Pages 147607  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract In this paper, the electronic, optical, and photocatalytic properties of GaSe/HfS2 heterostructure are studied via first-principles calculations. The stability of the vertically stacked heterobilayers is validated by the binding energy, phonon spectrum, and ab initio molecular dynamics simulation. The results reveal that the most stable GaSe/HfS2 heterobilayer retains a type-II alignment with an indirect bandgap 1.40 eV. As well, the results also show strong optical absorption intensity in the studied heterostructure (1.8 x 10(5) cm(-1)). The calculated hole mobility is 1376 cm(2) V-1 s(-1), while electron mobility reaches 911 cm(2) V-1 s(-1) along the armchair and zigzag directions. By applying an external electric field, the bandgap and band offset of the designed heterostructure can be effectively modified. Remarkably, a stronger external electric field can create nearly free electron states in the vicinity of the bottom of the conduction band, which induces indirect-to-direct bandgap transition as well as a semiconductor-to-metal transition. In contrast, the electronic properties of GaSe/HfS2 heterostructure are predicted to be insensitive to biaxial strain. The current work reveals that GaSe/HfS2 heterostructure is a promising candidate as a novel photocatalytic material for hydrogen generation in the visible range.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000582367700045 Publication Date 2020-08-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited 4 Open Access  
  Notes ; ; Approved Most recent IF: 6.7; 2020 IF: 3.387  
  Call Number UA @ admin @ c:irua:174301 Serial 6682  
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Author Foumani, A.A.; Forster, D.J.; Ghorbanfekr, H.; Weber, R.; Graf, T.; Niknam, A.R. pdf  doi
openurl 
  Title Atomistic simulation of ultra-short pulsed laser ablation of metals with single and double pulses : an investigation of the re-deposition phenomenon Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 537 Issue Pages 147775  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The demand for higher throughput in the processing of materials with ultra-short pulsed lasers has motivated studies on the use of double pulses (DP). It has been observed in such studies that at relatively high time delays between the two pulses, the ablated volume is lower than that for a single pulse (SP). This has been attributed to the shielding of the second pulse and the re-deposition of the material removed by the first pulse. The investigation of re-deposition in copper with the aid of atomistic simulations is the main objective of this study. Nevertheless, a computational investigation of SP-ablation and experimental measurement of the SP-ablation depths and threshold fluence are also covered. The applied computational apparatus comprises a combination of molecular dynamics with the two-temperature model and the Helmholtz wave equation. The analysis of the simulation results shows that the derived quantities like the SP-ablation threshold fluence and the ratio of DP ablation depth to SP-ablation depth are in agreement with the experimental values. An important finding of this study is that the characteristics of the re-deposition process are highly dependent on the fluence.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000582798700006 Publication Date 2020-09-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited 2 Open Access Not_Open_Access  
  Notes ; The authors thank the Center for High-Performance Computing at Shahid Beheshti University of Iran (SARMAD) for making available the computational resources required for this work. ; Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:174299 Serial 6683  
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Author Bafekry, A.; Yagmurcukardes, M.; Shahrokhi, M.; Ghergherehchi, M.; Kim, D.; Mortazavi, B. pdf  doi
openurl 
  Title Electro-optical and mechanical properties of Zinc antimonide (ZnSb) monolayer and bilayer : a first-principles study Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 540 Issue 1 Pages 148289  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Latest synthesis of ZnSb monolayer, encouraged us to conduct density functional theory (DFT) simulations in order to study the structural, magnetic, electronic/optical and mechanical features of the sp2-hybridized honeycomb ZnSb monolayer (ML-ZnSb) and bilayer (BL-ZnSb). Our structural optimizations reveal that ML-ZnSb is an anisotropic hexagonal structure while BL-ZnSb is composed of shifted ZnSb layers which are covalently binded. ML-ZnSb is found to be a ferromagnetic metal, in contrast BL-ZnSb has a non-magnetic indirect band gap semiconducting ground state. For the in-plane polarization, first absorption peak of ML-ZnSb and BL-ZnSb confirm the absorbance of the light within the infrared domain wand visible range, respectively. Moreover, our results reveal that the layer-layer chemical bonding in BL-ZnSb significantly enhances the mechanical response of ML-ZnSb whose in-plane stiness is the smallest among all 2D materials (2DM). Notably, the strong in-plane anisotropy of ML-ZnSb in its stiness reduces in BL-ZnSb.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000599883200005 Publication Date 2020-11-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited 1 Open Access Not_Open_Access  
  Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). Computational resources were provided by the Flemish Supercomputer Center (VSC). M.Y. is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. B.M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germanys Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ; Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:174956 Serial 6688  
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Author Kahraman, Z.; Baskurt, M.; Yagmurcukardes, M.; Chaves, A.; Sahin, H. pdf  doi
openurl 
  Title Stable Janus TaSe₂ single-layers via surface functionalization Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 538 Issue Pages 148064  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract First-principles calculations are performed in order to investigate the formation of Janus structures of single layer TaSe2. The structural optimizations and phonon band dispersions reveal that the formation and stability of hydrogenated (HTaSe2), fluorinated (FTaSe2), and the one-side hydrogenated and one-side fluorinated (Janus-HTaSe2F) single-layers are feasible in terms of their phonon band dispersions. It is shown that bare metallic single-layer TaSe2 can be turned into a semiconductor as only one of its surface is functionalized while it remains as a metal via its two surfaces functionalization. In addition, the semiconducting nature of single-layers HTaSe2 and FTaSe2 and the metallic behavior of Janus TaSe2 are found to be robust under applied uniaxal strains. Further analysis on piezoelectric properties of the predicted single-layers reveal the enhanced in-plane and out of-plane piezoelectricity via formed Janus-HTaSe2F. Our study indicates that single-layer TaSe2 is a suitable host material for surface functionalization via fluorination and hydrogenation which exhibit distinctive electronic and vibrational properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000595860900001 Publication Date 2020-10-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access Not_Open_Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). HS acknowledges support from Turkiye Bilimler Akademisi -Turkish Academy of Sciences under the GEBIP program. This work was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:174964 Serial 6699  
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Author Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Ziabari, A.A.; Khatibani, A.B.; Feghhi, S.A.H.; Ghergherehchi, M.; Gogova, D. pdf  doi
openurl 
  Title Adsorption of habitat and industry-relevant molecules on the MoSi₂N₄ monolayer Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 564 Issue Pages 150326  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The adsorption of various environmental gas molecules, including H-2, N-2, CO, CO2, O-2, NO, NO2, SO2 H2O, H2S, NH3 and CH4, on the surface of the recently synthesized two dimensional MoSi2N4 (MSN) monolayer has been investigated by means of spin-polarized first-principles calculations. The most stable adsorption configuration, adsorption energy, and charge transfer have been computed. Due to the weak interaction between molecules studied with the MSN monolayer surface, the adsorption energy is small and does not yield any significant distortion of the MSN lattice, i.e., the interaction between the molecules and MSN monolayer surface is physisorption. We find that all molecules are physisorbed on the MSM surface with small charge transfer, acting as either charge acceptors or donors. The MSN monolayer is a semiconductor with an indirect band gap of 1.79 eV. Our theoretical estimations reveal that upon adsorption of H-2, N-2, CO, CO2, NO, H2O, H2S, NH3 and CH4 molecules, the semiconducting character of MSN monolayer is preserved and the band gap value is decreased to similar to 1.5 eV. However, the electronic properties of the MSN monolayer can be significantly altered by adsorption of O-2, NO and SO2, and a spin polarization with magnetic moments of 2, 1, 2 mu(B), respectively, can be introduced. Furthermore, we demonstrate that the band gap and the magnetic moment of adsorbed MSN monolayer can be significantly modulated by the concentration of NO and SO2 molecules. As the concentration of NO2 molecule increases, the magnetic moment increase from 1 mu(B) to 2 and 3 mu(B). In the case of the SO2 molecule with increasing of concentration, the band gap decreases from 1.2 eV to 1.1 and 0.9 eV. Obviously, our theoretical studies indicate that MSN monolayer-based sensor has a high application potential for O-2, NO, NO2 and SO2 detection.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000675534500002 Publication Date 2021-06-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:180421 Serial 6970  
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