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“Stability criterion for large bipolarons in a polaron-gas background”. Smondyrev MA, Shanenko AA, Devreese JT, Physical review : B : condensed matter and materials physics 63, 024302 (2001)
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 3.836
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“Stability, dynamical properties and melting of a classical bi-layer Wigner crystal”. Goldoni G, Peeters FM, Physical review : B : condensed matter and materials physics 53, 4591 (1996). http://doi.org/10.1103/PhysRevB.53.4591
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 117
DOI: 10.1103/PhysRevB.53.4591
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“Stability of CH3 molecules trapped on hydrogenated sites of graphene”. Berdiyorov GR, Milošević, MV, Peeters FM, van Duin AT, Physica: B : condensed matter 455, 60 (2014). http://doi.org/10.1016/j.physb.2014.07.046
Abstract: We study the effect of a hydrogen atom on the thermal stability of a trapped CH3 molecule on graphene using ReaxFF molecular dynamics simulations. Due to the hydrogen-molecule interaction, enhanced pinning of the CH3 molecule is observed when it is positioned adjacent to the graphene site with the hydrogen atom. We discuss the formation process of such a stable configuration, which originates from different adhesion and migration energies of the hydrogen atom and the CH3 molecule. We also studied the effect of the CH3-H configuration on the electronic transport properties of graphene nanoribbons using first principles density-functional calculations. We found that the formation of the CH3-H structure results in extra features in the transmission spectrum due to the formation of strongly localized states, which are absent when the CH3 molecule is trapped on pristine graphene. Our findings will be useful in exploiting gas sensing properties of graphene, especially for selective detection of individual molecules. (C) 2014 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.386
Times cited: 5
DOI: 10.1016/j.physb.2014.07.046
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“Stability of charged exciton states in quantum wires”. Peeters FM, Szafran B, Chwiej T, Bednarek S, Adamowski J, Few-body systems 38, 121 (2006). http://doi.org/10.1007/s00601-005-0131-1
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 0.877
Times cited: 3
DOI: 10.1007/s00601-005-0131-1
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“Stability of fractional vortex states in a two-band mesoscopic superconductor”. Pina JC, de Souza Silva CC, Milošević, MV, Physical review : B : condensed matter and materials physics 86, 024512 (2012). http://doi.org/10.1103/PhysRevB.86.024512
Abstract: We investigate the stability of noncomposite fractional vortex states in a mesoscopic two-band superconductor within the two-component Ginzburg-Landau model. Our analysis explicitly takes into account the relationship between the model parameters and microscopic material parameters, such as partial density of states, Fermi velocities and elements of the electron-phonon coupling matrix. We have found that states with different phase winding number in each band (L-1 not equal L-2) and fractional flux can exist in many different configurations, including rather unconventional ones where the dominating band carries larger winding number and states where vertical bar L-1 – L-2 vertical bar > 1. We present a detailed analysis of the stability of the observed vortex structures with respect to changing the microscopic parameters, showing that, in the weak coupling case, fractional vortex states can be assessed in essentially the whole range of temperatures and applied magnetic fields in which both bands are active. Finally, we propose an efficient way of increasing the range of parameters for which these fractional vortex states can be stabilized. In particular, our proposal allows for observation of fractional vortex structures in materials with stronger coupling, where those states are forbidden at a homogeneous field. This is accomplished with the help of the stray fields of a suitably prepared magnetic dot placed nearby the superconducting disk.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 38
DOI: 10.1103/PhysRevB.86.024512
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“Stability of multipolaron matter”. Smondyrev MA, Verbist G, Peeters FM, Devreese JT, Physical review : B : condensed matter and materials physics 47, 2596 (1993). http://doi.org/10.1103/PhysRevB.47.2596
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 3.736
Times cited: 10
DOI: 10.1103/PhysRevB.47.2596
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“Stability of Sb-Te layered structures : first-principles study”. Govaerts K, Sluiter MHF, Partoens B, Lamoen D, Physical review : B : condensed matter and materials physics 85, 144114 (2012). http://doi.org/10.1103/PhysRevB.85.144114
Abstract: Using an effective one-dimensional cluster expansion in combination with first-principles electronic structure calculations we have studied the energetics and electronic properties of Sb-Te layered systems. For a Te concentration between 0 and 60 at. % an almost continuous series of metastable structures is obtained consisting of consecutive Sb bilayers next to consecutive Sb2Te3 units, with the general formula (Sb-2)(n)(Sb2Te3)(m) (n, m = 1,2, ... ). Between 60 and 100 at.% no stable structures are found. We account explicitly for the weak van derWaals bonding between Sb bilayers and Sb2Te3 units by using a recently developed functional, which strongly improves the interlayer bonding distances. At T = 0 K, no evidence is found for the existence of two separate single-phase regions delta and gamma and a two-phase region delta + gamma. Metastable compounds with a Te concentration between 0 and 40 at. % are semimetallic, whereas compounds with a Te concentration between 50 and 60 at. % are semiconducting. Compounds with an odd number of Sb layers are metallic and have a much higher formation energy than those with an even number of consecutive Sb layers, thereby favoring the formation of Sb bilayers.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 14
DOI: 10.1103/PhysRevB.85.144114
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“Stability of spintronic devices based on quantum ring networks”. Földi P, Kálmán O, Peeters FM, Physical review : B : solid state 80, 125324 (2009). http://doi.org/10.1103/PhysRevB.80.125324
Abstract: Transport properties in mesoscopic networks are investigated, where the strength of the (Rashba-type) spin-orbit coupling is tuned with external gate voltages. We analyze in detail to what extent the ideal behavior and functionality of some promising network-based devices are modified by random (spin-dependent) scattering events and by thermal fluctuations. It is found that although the functionality of these devices is obviously based on the quantum coherence of the transmitted electrons, there is a certain stability: moderate level of errors can be tolerated. For mesoscopic networks made of typical semiconductor materials, we found that when the energy distribution of the input carriers is narrow enough, the devices can operate close to their ideal limits even at relatively high temperature. As an example, we present results for two different networks: one that realizes a Stern-Gerlach device and another that simulates a spin quantum walker. Finally we propose a simple network that can act as a narrow band energy filter even in the presence of random scatterers.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 41
DOI: 10.1103/PhysRevB.80.125324
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“Stability of Ge12C48 and Ge20C40 heterofullerenes : a first principles molecular dynamics study”. Massobrio C, Djimbi DM, Matsubara M, Scipioni R, Boero M, Chemical physics letters 556, 163 (2013). http://doi.org/10.1016/j.cplett.2012.11.033
Abstract: By using first-principles molecular dynamics, we address the issue of structural stability for the C-60 Ge-m(m) family of doped heterofullerenes through a set of calculations targeting C48Ge12 and C40Ge20. Three kinds of theoretical tools are employed: (a) static structural optimization, (b) a bonding analysis based on localized orbitals (Wannier wavefunctions and centers) and (c) first-principles molecular dynamics at finite temperature. This latter tool allows concluding that the segregated form of C40Ge20 is less stable than its Si-based counterpart. However, the non-segregated forms of C40Ge20 and C40Si20 have comparable stabilities at finite temperatures. (C) 2012 Elsevier B. V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.815
Times cited: 3
DOI: 10.1016/j.cplett.2012.11.033
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“Stability of the superconducting vortex structure around a magnetic dot”. Marmorkos IK, Matulis A, Peeters FM, Physics of low-dimensional structures 10/11, 77 (1995)
Keywords: A3 Journal article; Condensed Matter Theory (CMT)
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“Stability of vortex-antivortex “molecules&rdquo, in mesoscopic superconducting triangles”. Misko VR, Fomin VM, Devreese JT, Moshchalkov VV, 3rd International Symposium on Mesoscopic Superconductivity and, Spintronics, MAR 01-04, 2004, Atsug, 191 (2005). http://doi.org/10.1142/9789812701619_0030
Abstract: We have revealed thermodynamically stable vortex-antivortex configurations in mesoscopic type I superconducting equilateral triangles. The revealed effect is explained by two factors: (i) vortex confinement in mesoscopic triangles and (ii) appearance of the vortex-antivortex repulsion in mesoscopic type I superconductor triangles in the vicinity of the dual point. The stability of the obtained solutions is examined as a function of material and external parameters – the Ginzburg-Landau parameter K and temperature – as well as a function of a distortion of the sample's shape. The vortex-antivortex. “molecule” turns out to be stable in a wide range of the parameters that makes it possible its experimental visualization.
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
DOI: 10.1142/9789812701619_0030
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“Stability of vortex-antivortex molecules in mesoscopic superconducting triangles”. Misko VR, Fomin VM, Devreese JT, Moshchalkov VV, Physica C-Superconductivity And Its Applications 404, 251 (2004). http://doi.org/10.1016/j.physc.2003.11.043
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 1.404
Times cited: 2
DOI: 10.1016/j.physc.2003.11.043
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“Stabilization of mercury-based superconductors by foreign cations”. Raveau B, Michel C, Hervieu M, Van Tendeloo G, Maignan A, Annales de chimie (1914)
T2 –, 4th North-African Materials Science Symposium (JMSM 94), NOV 23-24, 1994, CASABLANCA, MOROCCO 19, 487 (1994)
Abstract: The recently discovered superconducting mercury-based cuprates HgBa2Can-1CunO2n+2+delta have proved difficult to synthesize as single phases and are sensitive to environment (CO2, moisture). The present paper gives an overview of new series mercury based superconductors, whose stabilisation is based on the fact that a foreign cation with a higher valency than Hg(II) must be introduced in the mercury layers, in order to fill up partially the oxygen vacancies of these layers. By this method, several new series of superconductors involving strontium instead of barium with critical temperatures ranging from 27 K to 95 K have been isolated : Hg0.5Bi0.5Sr2-xLaxCuO4+delta, Hg(0.5)Bi(0.5)Sr(2)Ca(1-x)R(x)Cu(2)O(6+delta) (R Y, Nd, Pr), Pb0.7Hg0.3Sr2-xLaxCuO4+delta, Pb(0.7)Hg(0.3)Sr(2)Ca(1-x)R(x)Cu(2)O(6+delta) (R = Y, Nd) Hg(1-x)Pr(x)Sr(2)A(1-x')Pr(x') Cu2O6+delta (A = Sr, Ca), Pb0.7Hg0.3Sr2Cu2CO3O7 and Hg1-xCrxSr2CuO4+delta. The behaviour of the praseodymium cuprates that exhibit a rather sharp transition and reach a Tc of 85 K is especially discussed. A method to synthesize new ''Ba-Hg'' superconducting cuprates with the 1212 structure at normal pressure with a Tc up to 110 K is also presented.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 2
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“Stabilization of the cubic phase of HfO2 by Y addition in films grown by metal organic chemical vapor deposition”. Rauwel E, Dubourdieu C, Holländer B, Rochat N, Ducroquet F, Rossell MD, Van Tendeloo G, Pelissier B, Applied physics letters 89, 012902 (2006). http://doi.org/10.1063/1.2216102
Abstract: Addition of yttrium in HfO(2) thin films prepared on silicon by metal organic chemical vapor deposition is investigated in a wide compositional range (2.0-99.5 at. %). The cubic structure of HfO(2) is stabilized for 6.5 at. %. The permittivity is maximum for yttrium content of 6.5-10 at. %; in this range, the effective permittivity, which results from the contribution of both the cubic phase and silicate phase, is of 22. These films exhibit low leakage current density (5x10(-7) A/cm(2) at -1 V for a 6.4 nm film). The cubic phase is stable upon postdeposition high temperature annealing at 900 degrees C under NH(3). (c) 2006 American Institute of Physics.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.411
Times cited: 78
DOI: 10.1063/1.2216102
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“Stabilization of vortex-antivortex configurations in mesoscopic superconductors by engineered pinning”. Geurts R, Milošević, MV, Peeters FM, Physical review : B : condensed matter and materials physics 75, 184511 (2007). http://doi.org/10.1103/PhysRevB.75.184511
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 22
DOI: 10.1103/PhysRevB.75.184511
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“Stabilized silicene within bilayer graphene : a proposal based on molecular dynamics and density-functional tight-binding calculations”. Berdiyorov GR, Neek-Amal M, Peeters FM, van Duin ACT, Physical review : B : condensed matter and materials physics 89, 024107 (2014). http://doi.org/10.1103/PhysRevB.89.024107
Abstract: Freestanding silicene is predicted to display comparable electronic properties as graphene. However, the yet synthesized silicenelike structures have been only realized on different substrates which turned out to exhibit versatile crystallographic structures that are very different from the theoretically predicted buckled phase of freestanding silicene. This calls for a different approach where silicene is stabilized using very weakly interacting surfaces. We propose here a route by using graphene bilayer as a scaffold. The confinement between the flat graphene layers results in a planar clustering of Si atoms with small buckling, which is energetically unfavorable in vacuum. Buckled hexagonal arrangement of Si atoms similar to freestanding silicene is observed for large clusters, which, in contrast to Si atoms on metallic surfaces, is only very weakly van der Waals coupled to the graphene layers. These clusters are found to be stable well above room temperature. Our findings, which are supported by density-functional tight-binding calculations, show that intercalating bilayer graphene with Si is a favorable route to realize silicene.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 43
DOI: 10.1103/PhysRevB.89.024107
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“Stabilized vortex-antivortex molecules in a superconducting microdisk with a magnetic nanodot on top”. Milošević, MV, Berdiyorov GR, Peeters FM, Physical review : B : condensed matter and materials physics 75, 052502 (2007). http://doi.org/10.1103/PhysRevB.75.052502
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 15
DOI: 10.1103/PhysRevB.75.052502
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“Stable and metastable states in a mesoscopic superconducting “eight&rdquo, loop in presence of an external magnetic field”. Vodolazov DY, Peeters FM, Physica: C : superconductivity 400, 165 (2004). http://doi.org/10.1016/j.physc.2003.08.003
Abstract: The stable and metastable states of different configurations of a mesoscopic loop in the form of an eight is studied in the presence of a magnetic field. We find that for certain configurations the current is equal to zero for any value of the magnetic field leading to a magnetic field independent superconducting state. The state with fixed phase circulation becomes unstable when the momentum of the superconducting electrons reaches a critical value. At this moment the kinetic energy of the superconducting condensate becomes of the same order as the potential energy of the Cooper pairs and it leads to an instability. Numerical analysis of the time-dependent Ginzburg-Landau equations shows that the absolute value of the order parameter changes gradually at the transition from a state with one phase circulation to another although the vorticity change occurs abruptly. (C) 2003 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 5
DOI: 10.1016/j.physc.2003.08.003
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“Stable half-metallic monolayers of FeCl2”. Torun E, Sahin H, Singh SK, Peeters FM, Applied physics letters 106, 192404 (2015). http://doi.org/10.1063/1.4921096
Abstract: The structural, electronic, and magnetic properties of single layers of Iron Dichloride (FeCl2) were calculated using first principles calculations. We found that the 1T phase of the single layer FeCl2 is 0.17 eV/unit cell more favorable than its 1H phase. The structural stability is confirmed by phonon calculations. We found that 1T-FeCl2 possess three Raman-active (130, 179, and 237 cm(-1)) and one infrared-active (279 cm(-1)) phonon branches. The electronic band dispersion of the 1T-FeCl2 is calculated using both gradient approximation of Perdew-Burke-Ernzerhof and DFT-HSE06 functionals. Both functionals reveal that the 1T-FeCl2 has a half-metallic ground state with a Curie temperature of 17 K. (C) 2015 AIP Publishing LLC.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 84
DOI: 10.1063/1.4921096
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“Stable polyoxometalate insertion within the mesoporous metal organic framework MIL-100(Fe)”. Canioni R, Roch-Marchal C, Sécheresse F, Horcajada P, Serre C, Hardi-Dan M, Férey G, Grenèche J-M, Lefebvre F, Chang J-S, Hwang Y-K, Lebedev O, Turner S, Van Tendeloo G, Journal of materials chemistry 21, 1226 (2011). http://doi.org/10.1039/c0jm02381g
Abstract: Successful encapsulation of polyoxometalate (POM) within the framework of a mesoporous iron trimesate MIL-100(Fe) sample has been achieved by direct hydrothermal synthesis in the absence of fluorine. XRPD, 31P MAS NMR, IR, EELS, TEM and 57Fe Mössbauer spectrometry corroborate the insertion of POM within the cavities of the MOF. The experimental Mo/Fe ratio is 0.95, in agreement with the maximum theoretical amount of POM loaded within the pores of MIL-100(Fe), based on steric hindrance considerations. The POM-MIL-100(Fe) sample exhibits a pore volume of 0.373 cm3 g−1 and a BET surface area close to 1000 m2 g−1, indicating that small gas molecules can easily diffuse inside the cavities despite the presence of heavy phosphomolybdates. These latter contribute to the decrease in the overall surface area, due to the increase in molar weight, by 65%. Moreover, the resulting Keggin containing MIL-100(Fe) solid is stable in aqueous solution with no POM leaching even after more than 2 months. In addition, no exchange of the Keggin anions by tetrabutylammonium perchlorate in organic media has been observed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 158
DOI: 10.1039/c0jm02381g
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“Stable vortex-antivortex molecules in mesoscopic superconducting triangles”. Misko VR, Fomin VM, Devreese JT, Moshchalkov VV, Physical Review Letters 90, 147003 (2003). http://doi.org/10.1103/PhysRevLett.90.147003
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 8.462
Times cited: 103
DOI: 10.1103/PhysRevLett.90.147003
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“Stacking order dependent electric field tuning of the band gap in graphene multilayers”. Avetisyan AA, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 81, 115432 (2010). http://doi.org/10.1103/PhysRevB.81.115432
Abstract: The effect of different stacking order of graphene multilayers on the electric field induced band gap is investigated. We considered a positively charged top and a negatively charged back gate in order to independently tune the band gap and the Fermi energy of three and four layer graphene systems. A tight-binding approach within a self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We found that the gap for trilayer graphene with the ABC stacking is much larger than the corresponding gap for the ABA trilayer. Also we predict that for four layers of graphene the energy gap strongly depends on the choice of stacking, and we found that the gap for the different types of stacking is much larger as compared to the case of Bernal stacking. Trigonal warping changes the size of the induced electronic gap by approximately 30% for intermediate and large values of the induced electron density.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 142
DOI: 10.1103/PhysRevB.81.115432
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“Stark effect on the exciton spectra of vertically coupled quantum dots: horizontal field orientation and nonaligned dots”. Szafran B, Peeters FM, Bednarek S, Physical review : B : condensed matter and materials physics 75, 115303 (2007). http://doi.org/10.1103/PhysRevB.75.115303
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 38
DOI: 10.1103/PhysRevB.75.115303
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“Stark shift in single and vertically coupled type-I and type-II quantum dots”. Janssens KL, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 65, 233301 (2002). http://doi.org/10.1103/PhysRevB.65.233301
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 43
DOI: 10.1103/PhysRevB.65.233301
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“Stationary-phase slip state in quasi-one-dimensional rings”. Vodolazov DY, Baelus BJ, Peeters FM, Physical review : B : condensed matter and materials physics 66, 054531 (2002). http://doi.org/10.1103/PhysRevB.66.054531
Abstract: The nonuniform superconducting state in a ring in which the order parameter vanishing at one point is studied. This state is characterized by a jump of the phase by pi at the point where the order parameter becomes zero. In uniform rings such a state is a saddle-point state and consequently unstable. However, for nonuniform rings with, e.g., variations of geometrical or physical parameters or with attached wires this state can be stabilized and may be realized experimentally.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 29
DOI: 10.1103/PhysRevB.66.054531
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“Statistical method for thickness measurement of amorphous objects”. van Dyck D, Croitoru MD, Applied physics letters 90, 241911 (2007). http://doi.org/10.1063/1.2749184
Abstract: The authors propose a nondestructive method for the determination of the thickness of an amorphous sample. This method is based on the statistics of the phase of the electron exit wave function, which depend on the number of atoms traversed by the incident electron which itself is a function of the thickness of the object. The accuracy of this method has been checked numerically by the multislice method and compared with that based on the mean inner potential. (c) 2007 American Institute of Physics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 3.411
Times cited: 4
DOI: 10.1063/1.2749184
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“Steric hindrance induces crosslike self-assembly of gold nanodumbbells”. Grzelczak M, Sánchez-Iglesias A, Heidari Mezerji H, Bals S, Pérez-Juste J, Liz-Marzán LM, Nano letters 12, 4380 (2012). http://doi.org/10.1021/nl3021957
Abstract: In the formation of colloidal molecules, directional interactions are crucial for controlling the spatial distribution of the building blocks. Anisotropic nanoparticles facilitate directional clustering via steric constraints imposed by each specific shape, thereby restricting assembly along certain directions. We show in this Letter that the combination of patchiness (attraction) and shape (steric hindrance) allows assembling gold nanodumbbell building blocks into crosslike dimers with well-controlled interparticle distance and relative orientation. Steric hindrance between interacting dumbbell-like particles opens up a new synthetic approach toward low-symmetry plasmonic clusters, which may significantly contribute to understand complex plasmonic phenomena.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 12.712
Times cited: 85
DOI: 10.1021/nl3021957
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“Stone-Wales defects in silicene : formation, stability, and reactivity of defect sites”. Sahin H, Sivek J, Li S, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 88, 045434 (2013). http://doi.org/10.1103/PhysRevB.88.045434
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.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 93
DOI: 10.1103/PhysRevB.88.045434
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“Strain and band edges in single and coupled cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots”. Tadić, M, Peeters FM, Janssens KL, Korkusinski M, Hawrylak P, Journal of applied physics 92, 5819 (2002). http://doi.org/10.1063/1.1510167
Abstract: A comparative study is made of the strain distribution in cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots as obtained from isotropic elasticity theory, the anisotropic continuum mechanical model, and from atomistic calculations. For the isotropic case, the recently proposed approach [J. H. Davies, J. Appl. Phys. 84, 1358 (1998)] is used, while the finite-element method, the valence force field method, and Stillinger-Weber potentials are employed to calculate the strain in anisotropic structures. We found that all four methods result in strain distributions of similar shapes, but with notable quantitative differences inside the dot and near the disk-matrix boundary. The variations of the diagonal strains with the height of the quantum dot, with fixed radius, as calculated from all models, are almost linear. Furthermore, the energies of the band edges in the two types of quantum dots are extracted from the multiband effective-mass theory by inserting the strain distributions as obtained by the four models. We demonstrated that all strain models produce effective potentials for the heavy and light holes which agree very well inside the dot. A negligible anisotropy of all normal strains in the (x,y) plane is found, which, providing the axial symmetry of the kinetic part of the multiband effective-mass Hamiltonian, justifies the use of the axial approximation. Strain propagation along the vertical direction is also considered with the aim to study the influence of strain on the electron coupling in stacks of quantum dots. We found that the interaction between the strain fields of the individual quantum dots makes the effective quantum wells for the electrons in the conduction band shallower, thereby counteracting the quantum mechanical coupling. (C) 2002 American Institute of Physics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 73
DOI: 10.1063/1.1510167
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“Strain and band-mixing effects on the excitonic Aharonov-Bohm effect in In(Ga)As/GaAs ringlike quantum dots”. Arsoski VV, Tadić, MZ, Peeters FM, Physical review : B : condensed matter and materials physics 87, 085314 (2013). http://doi.org/10.1103/PhysRevB.87.085314
Abstract: Neutral excitons in strained axially symmetric In(Ga)As/GaAs quantum dots with a ringlike shape are investigated. Similar to experimental self-assembled quantum rings, the analyzed quantum dots have volcano-like shapes. The continuum mechanical model is employed to determine the strain distribution, and the single-band envelope function approach is adopted to compute the electron states. The hole states are determined by the axially symmetric multiband Luttinger-Kohn Hamiltonian, and the exciton states are obtained from an exact diagonalization. We found that the presence of the inner layer covering the ring opening enhances the excitonic Aharonov-Bohm (AB) oscillations. The reason is that the hole becomes mainly localized in the inner part of the quantum dot due to strain, whereas the electron resides mainly inside the ring-shaped rim. Interestingly, larger AB oscillations are found in the analyzed quantum dot than in a fully opened quantum ring of the same width. Comparison with the unstrained ringlike quantum dot shows that the amplitude of the excitonic Aharonov-Bohm oscillations are almost doubled in the presence of strain. The computed oscillations of the exciton energy levels are comparable in magnitude to the oscillations measured in recent experiments. DOI: 10.1103/PhysRevB.87.085314
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 18
DOI: 10.1103/PhysRevB.87.085314
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