“Intrinsic optical anisotropy of [001]-grown short-period InAs/GaSb superlattices”. Li LL, Xu W, Peeters FM, Physical review : B : condensed matter and materials physics 82, 235422 (2010). http://doi.org/10.1103/PhysRevB.82.235422
Abstract: We theoretically investigate the intrinsic optical anisotropy or polarization induced by the microscopic interface asymmetry (MIA) in no-common-atom (NCA) InAs/GaSb superlattices (SLs) grown along the [001] direction. The eight-band K⋅P model is used to calculate the electronic band structures and incorporates the MIA effect. A Boltzmann equation approach is employed to calculate the optical properties. We found that in NCA InAs/GaSb SLs, the MIA effect causes a large in-plane optical anisotropy for linearly polarized light and the largest anisotropy occurs for light polarized along the [110] and [11̅ 0] directions. The relative difference between the optical-absorption coefficient for [110]-polarized light and that for [11̅ 0]-polarized light is found to be larger than 50%. The dependence of the in-plane optical anisotropy on temperature, photoexcited carrier density, and layer width is examined in detail. This study is important for optical devices which require the polarization control and selectivity.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 18
DOI: 10.1103/PhysRevB.82.235422
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“Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons”. Ao ZM, Hernández-Nieves AD, Peeters FM, Li S, Applied physics letters 97, 233109 (2010). http://doi.org/10.1063/1.3525377
Abstract: The thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs are 2.86 and 3.17 eV, respectively, while the diffusion barrier of an isolated H atom on pristine graphene was only ∼ 0.3 eV. These results unambiguously demonstrate that the thermal stability of GGNRs can be enhanced significantly by increasing the hydrogen diffusion barriers through graphene/graphane interface engineering. This may provide new insights for viable applications of GGNRs.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 43
DOI: 10.1063/1.3525377
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“Superconducting nanowires : new type of BCS-BEC crossover driven by quantum-size effects”. Shanenko AA, Croitoru MD, Vagov A, Peeters FM, , 119 (2011). http://doi.org/10.1007/978-94-007-0044-4_9
Abstract: We show that a superconducting quantum nanowire undergoes a new type of BCS-BEC crossover each time when an electron subband approaches the Fermi surface. In this case the longitudinal Cooper-pair size drops by two-three orders of magnitude down to a few nanometers. This unconventional BCS-BEC crossover is driven by quantum-size effects rather than by tuning the fermion-fermion interaction.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
DOI: 10.1007/978-94-007-0044-4_9
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“Kronig-Penney model on bilayer graphene : spectrum and transmission periodic in the strength of the barriers”. Barbier M, Vasilopoulos P, Peeters FM, Physical review : B : condensed matter and materials physics 82, 235408 (2010). http://doi.org/10.1103/PhysRevB.82.235408
Abstract: We show that the transmission through single and double δ-function potential barriers of strength P=VWb/ℏvF in bilayer graphene is periodic in P with period π. For a certain range of P values we find states that are bound to the potential barrier and that run along the potential barrier. Similar periodic behavior is found for the conductance. The spectrum of a periodic succession of δ-function barriers (Kronig-Penney model) in bilayer graphene is periodic in P with period 2π. For P smaller than a critical value Pc, the spectrum exhibits two Dirac points while for P larger than Pc an energy gap opens. These results are extended to the case of a superlattice of δ-function barriers with P alternating in sign between successive barriers; the corresponding spectrum is periodic in P with period π.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 34
DOI: 10.1103/PhysRevB.82.235408
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“Second-order multiple-quanta flux entry into a perforated spherical mesoscopic superconductor”. Xu B, Milošević, MV, Peeters FM, Physical review : B : condensed matter and materials physics 82, 214501 (2010). http://doi.org/10.1103/PhysRevB.82.214501
Abstract: Flux entry in type-II superconductors without prominent symmetry is a first-order phase transition, where flux enters conventionally gradual in units of a flux quantum. Here we show that neither is necessarily the case in a mesoscopic superconducting sphere with a perforation. In axially applied magnetic field, vortices initially occupy the hole, and can oppose further flux entry in the sample. As a result, multiple-quanta flux entry is found at significantly higher field, and it can manifest as a second-order transition due to suppressed geometric barrier at the equatorial belt of the sample. At high fields a new state is found, with gradually destroyed condensate from the equator inwards, the exact opposite of surface superconductivity.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 2
DOI: 10.1103/PhysRevB.82.214501
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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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“First-principles modeling of intrinsic and extrinsic defects in \gamma-Al2O3”. Sankaran K, Pourtois G, Degraeve R, Zahid MB, Rignanese G-M, Van Houdt J, Applied physics letters 97, 212906 (2010). http://doi.org/10.1063/1.3507385
Abstract: The electronic properties of a set of intrinsic and extrinsic point defects in gamma-Al2O3 are investigated using quasiparticle calculations within the G(0)W(0) approximation. We find that the electronic signature of atomic vacancies lie deep in the band gap, close to the top of the valence band edge. The introduction of C, Si, and N impurities induces defective levels that are located close to the conduction band edge and near the middle of the band gap of the oxide. The comparison with electrical measurements reveals that the energy levels of some of these defects match with the electronic fingerprint of the defects reported in gamma-Al2O3 based nonvolatile memories. (C) 2010 American Institute of Physics. [doi:10.1063/1.3507385]
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 12
DOI: 10.1063/1.3507385
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“Wave-packet dynamics and valley filter in strained graphene”. Chaves A, Covaci L, Rakhimov KY, Farias GA, Peeters FM, Physical review : B : condensed matter and materials physics 82, 205430 (2010). http://doi.org/10.1103/PhysRevB.82.205430
Abstract: The time evolution of a wave packet in strained graphene is studied within the tight-binding model and continuum model. The effect of an external magnetic field, as well as a strain-induced pseudomagnetic field, on the wave-packet trajectories and zitterbewegung are analyzed. Combining the effects of strain with those of an external magnetic field produces an effective magnetic field which is large in one of the Dirac cones, but can be practically zero in the other. We construct an efficient valley filter, where for a propagating incoming wave packet consisting of momenta around the K and K' Dirac points, the outgoing wave packet exhibits momenta in only one of these Dirac points while the components of the packet that belong to the other Dirac point are reflected due to the Lorentz force. We also found that the zitterbewegung is permanent in time in the presence of either external or strain-induced magnetic fields, but when both the external and strain-induced magnetic fields are present, the zitterbewegung is transient in one of the Dirac cones, whereas in the other cone the wave packet exhibits permanent spatial oscillations.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 95
DOI: 10.1103/PhysRevB.82.205430
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“Density of states and magneto-optical conductivity of graphene in a perpendicular magnetic field”. Yang CH, Peeters FM, Xu W, Physical review : B : condensed matter and materials physics 82, 205428 (2010). http://doi.org/10.1103/PhysRevB.82.205428
Abstract: The density of states (DOS) and the optical conductivity of graphene is calculated in the presence of a perpendicular magnetic field and where scattering on charged and short-range impurities is included. The standard Kubo formula is employed where the self-energy induced by impurity scattering and the Green's function are calculated self-consistently including inter-Landau level (LL) coupling and screening effects. It is found that the scattering from those two types of impurities results in a symmetric LL broadening and asymmetric inter-LL coupling renormalizes the LL positions to lower energy. The peak position and intensity of the magneto-optical conductivity depends on the filling factor and the broadened DOS. Good agreement is found with recent cyclotron resonance measurements.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 39
DOI: 10.1103/PhysRevB.82.205428
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“First-principles investigation of graphene fluoride and graphane”. Leenaerts O, Peelaers H, Hernández-Nieves AD, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 82, 195436 (2010). http://doi.org/10.1103/PhysRevB.82.195436
Abstract: Different stoichiometric configurations of graphane and graphene fluoride are investigated within density-functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the various configurations. Large differences between graphane and graphene fluoride are found that are caused by the presence of charges on the fluorine atoms. A configuration that is more stable than the boat configuration is predicted for graphene fluoride. We also perform GW calculations for the electronic band gap of both graphene derivatives. These band gaps and also the calculated Youngs moduli are at variance with available experimental data. This might indicate that the experimental samples contain a large number of defects or are only partially covered with H or F.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 367
DOI: 10.1103/PhysRevB.82.195436
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“Validation of computational fluid dynamics in CT-based airway models with SPECT/CT1”. de Backer JW, Vos WG, Vinchurkar SC, Claes R, Drollmann A, Wulfrank D, Parizel PM, Germonpré, P, de Backer W, Radiology 257, 854 (2010). http://doi.org/10.1148/radiol.10100322
Abstract: Purpose: To compare the results obtained by using numerical flow simulations with the results of combined single photon emission computed tomography (SPECT) and computed tomography (CT) and to demonstrate the importance of correct boundary conditions for the numerical methods to account for the large amount of interpatient variability in airway geometry. Materials and Methods: This study was approved by all relevant institutional review boards. All patients gave their signed informed consent. In this study, six patients with mild asthma (three men; three women; overall mean age, 46 years ± 17 [standard deviation]) underwent CT at functional residual capacity and total lung capacity, as well as SPECT/CT. CT data were used for segmentation and computational fluid dynamics (CFD) simulations. A comparison was made between airflow distribution, as derived with (a) SPECT/CT through tracer concentration analysis, (b) CT through lobar expansion measurement, and (c) CFD through flow computer simulation. Also, the heterogeneity of the ventilation was examined. Results: Good agreement was found between SPECT/CT, CT, and CFD in terms of airflow distribution and hot spot detection. The average difference for the internal airflow distribution was less than 3% for CFD and CT versus SPECT/CT. Heterogeneity in ventilation patterns could be detected with SPECT/CT and CFD. Conclusion: This results of this study show that patient-specific computer simulations with appropriate boundary conditions yield information that is similar to that obtained with functional imaging tools, such as SPECT/CT.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Vision lab; Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
Impact Factor: 7.296
Times cited: 100
DOI: 10.1148/radiol.10100322
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“Enhancing the critical current in quasiperiodic pinning arrays below and above the matching magnetic flux”. Misko VR, Bothner D, Kemmler M, Kleiner R, Koelle D, Peeters FM, Nori F, Physical review : B : condensed matter and materials physics 82, 184512 (2010). http://doi.org/10.1103/PhysRevB.82.184512
Abstract: Quasiperiodic pinning arrays, as recently demonstrated theoretically and experimentally using a fivefold Penrose tiling, can lead to a significant enhancement of the critical current Ic as compared to traditional regular pinning arrays. However, while regular arrays showed only a sharp peak in Ic(Φ) at the matching flux Φ1 and quasiperiodic arrays provided a much broader maximum at Φ<Φ1, both types of pinning arrays turned out to be inefficient for fluxes larger than Φ1. We demonstrate theoretically and experimentally the enhancement of Ic(Φ) for Φ>Φ1 by using non-Penrose quasiperiodic pinning arrays. This result is based on a qualitatively different mechanism of flux pinning by quasiperiodic pinning arrays and could be potentially useful for applications in superconducting microelectronic devices operating in a broad range of magnetic fields.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 33
DOI: 10.1103/PhysRevB.82.184512
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“Cation ordering within the perovskite block of a six-layer Ruddlesden-Popper oxide from layer-by-layer growth artificial interfaces in complex unit cells”. Yan L, Niu HJ, Duong GV, Suchomel MR, Bacsa J, Chalker PR, Hadermann J, Van Tendeloo G, Rosseinsky MJ, Chemical science 2, 261 (2011). http://doi.org/10.1039/c0sc00482k
Abstract: The (AO)(ABO3)n Ruddlesden-Popper structure is an archetypal complex oxide consisting of two distinct structural units, an (AO) rock salt layer separating an n-octahedra thick perovskite block. Conventional high-temperature oxide synthesis methods cannot access members with n > 3, but low-temperature layer-by-layer thin film methods allow the preparation of materials with thicker perovskite blocks, exploiting high surface mobility and lattice matching with the substrate. This paper describes the growth of an n = 6 member CaO[(CSMO)2(LCMO)2 (CSMO)2] in which the six unit cell perovskite block is sub-divided into two central La0.67Ca0.33MnO3 (LCMO) and two terminal Ca0.85Sm0.15MnO3 (CSMO) layers to allow stabilization of the rock salt layer and variation of the transition metal charge.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 8.668
Times cited: 16
DOI: 10.1039/c0sc00482k
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“Kronig-Penney model of scalar and vector potentials in graphene”. Masir MR, Vasilopoulos P, Peeters FM, Journal of physics : condensed matter 22, 465302 (2010). http://doi.org/10.1088/0953-8984/22/46/465302
Abstract: We consider a one-dimensional (1D) superlattice (SL) on graphene consisting of very high and very thin (δ-function) magnetic and potential barriers with zero average potential and zero magnetic field. We calculate the energy spectrum analytically, study it in different limiting cases, and determine the condition under which an electron beam incident on an SL is highly collimated along its direction. In the absence of the magnetic SL the collimation is very sensitive to the value of W/Ws and is optimal for W/Ws = 1, where W is the distance between the positive and negative barriers and L = W + Ws is the size of the unit cell. In the presence of only the magnetic SL the collimation decreases and the symmetry of the spectrum around ky is broken for W/Ws\neq 1 . In addition, a gap opens which depends on the strength of the magnetic field. We also investigate the effect of spatially separated potential and magnetic δ-function barriers and predict a better collimation in specific cases.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 41
DOI: 10.1088/0953-8984/22/46/465302
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“Effect of correlated noise on quasi-one-dimensional diffusion”. Tkachenko DV, Misko VR, Peeters FM, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 82, 051102 (2010). http://doi.org/10.1103/PhysRevE.82.051102
Abstract: Single-file diffusion (SFD) of an infinite one-dimensional chain of interacting particles has a long-time mean-square displacement ∝t1/2, independent of the type of interparticle repulsive interaction. This behavior is also observed in finite-size chains, although only for certain intervals of time t depending on the chain length L, followed by the ∝t for t→∞, as we demonstrate for a closed circular chain of diffusing interacting particles. Here, we show that spatial correlation of noise slows down SFD and can result, depending on the amount of correlated noise, in either subdiffusive behavior ∝tα, where 0<α<1/2, or even in a total suppression of diffusion (in the limit N→∞). Spatial correlation can explain the subdiffusive behavior in recent SFD experiments in circular channels.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.366
Times cited: 11
DOI: 10.1103/PhysRevE.82.051102
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“Single-layer and bilayer graphene superlattices: collimation, additional Dirac points and Dirac lines”. Barbier M, Vasilopoulos P, Peeters FM, Philosophical transactions of the Royal Society : mathematical, physical and engineering sciences 368, 5499 (2010). http://doi.org/10.1098/rsta.2010.0218
Abstract: We review the energy spectrum and transport properties of several types of one-dimensional superlattices (SLs) on single-layer and bilayer graphene. In single-layer graphene, for certain SL parameters an electron beam incident on an SL is highly collimated. On the other hand, there are extra Dirac points generated for other SL parameters. Using rectangular barriers allows us to find analytical expressions for the location of new Dirac points in the spectrum and for the renormalization of the electron velocities. The influence of these extra Dirac points on the conductivity is investigated. In the limit of δ-function barriers, the transmission T through and conductance G of a finite number of barriers as well as the energy spectra of SLs are periodic functions of the dimensionless strength P of the barriers, Graphic, with vF the Fermi velocity. For a KronigPenney SL with alternating sign of the height of the barriers, the Dirac point becomes a Dirac line for P = π/2+nπ with n an integer. In bilayer graphene, with an appropriate bias applied to the barriers and wells, we show that several new types of SLs are produced and two of them are similar to type I and type II semiconductor SLs. Similar to single-layer graphene SLs, extra Dirac points are found in bilayer graphene SLs. Non-ballistic transport is also considered.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.97
Times cited: 64
DOI: 10.1098/rsta.2010.0218
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“Monolayer graphene from graphite oxide”. Dideykin A, Aleksenskiy AE, Kirilenko D, Brunkov P, Goncharov V, Baidakova M, Sakseev D, Vul' AY, Diamond and related materials 20, 105 (2011). http://doi.org/10.1016/j.diamond.2010.10.007
Abstract: Graphene, a new carbon material, is attracting presently an increasing research interest. It stems from the unique electrical and mechanical properties of graphene predicted by theory. Experimental studies of graphene are, however, severely curtailed by a lack of an appropriate technique for its preparation. Mechanical cleavage of graphite proved to be ineffective, since it yields only very small (a few microns in size) particles of monolayer graphene. The rapidly developing approach based on chemical exfoliation of graphite produces large-area coatings composed primarily of arbitrarily oriented multilayer graphene particles. We have developed a technique for preparation of monolayer graphene sheets involving liquid exfoliation of crystalline graphite, which includes synthesis of graphite oxide by deep oxidation as an intermediate stage. Electron diffraction traces, as well as the variation of diffracted intensities with local orientation of graphene sheets, AFM, and HRTEM images testify to a remarkably good monolayer structure of the graphite oxide particles obtained by our technique. These results open a way to setting up high-efficiency production of monolayer graphene sheets appropriate for electrical and optical measurements and fabrication of structures for use in the field of applications.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.561
Times cited: 48
DOI: 10.1016/j.diamond.2010.10.007
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“The ground states of the two-component order parameter superconductor”. Doria MM, de Romaguera ARC, Peeters FM, Europhysics letters 92, 17004 (2010). http://doi.org/10.1209/0295-5075/92/17004
Abstract: We show that in presence of an applied external field the two-component order parameter superconductor falls in two categories of ground states, namely, in the traditional Abrikosov ground state or in a new ground state fitted to describe a superconducting layer with texture, that is, patched regions separated by a phase difference of pi. The existence of these two kinds of ground states follows from the sole assumption that the total supercurrent is the sum of the two individual supercurrents and is independent of any consideration about the free energy expansion. Uniquely defined relations between the current density and the superfluid density hold for these two ground states, which also determine the magnetization in terms of average values of the order parameters. Because these ground-state conditions are also Bogomolny equations we construct the free energy for the two-component superconductor which admits the Bogomolny solution at a special coupling value. Copyright (C) EPLA, 2010
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.957
Times cited: 8
DOI: 10.1209/0295-5075/92/17004
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“Synthesis and structure determination of ferromagnetic semiconductors LaAMnSnO6(A = Sr, Ba)”. Yang T, Perkisas T, Hadermann J, Croft M, Ignatov A, Van Tendeloo G, Greenblatt M, Journal of materials chemistry 21, 199 (2011). http://doi.org/10.1039/c0jm02614j
Abstract: LaAMnSnO(6) (A = Sr, Ba) have been synthesized by high temperature solid-state reactions under dynamic 1% H(2)/Ar flow. Rietveld refinements on room temperature powder X-ray diffraction data indicate that LaSrMnSnO(6) crystallizes in the GdFeO(3)-structure, with space group Pnma and, combined with transmission electron microscopy, LaBaMnSnO(6) in Imma. Both space groups are common in disordered double-perovskites. The Mn(3+) and Sn(4+) ions whose valence states were confirmed by X-ray absorption spectroscopy, are completely disordered over the B-sites and the BO(6) octahedra are slightly distorted. LaAMnSnO(6) are ferromagnetic semiconductors with a T(C) = 83 K for the Sr- and 66 K for the Ba-compound. The title compounds, together with the previously reported LaCaMnSnO(6) provide an interesting example of progression from Pnma to Imma as the tolerance factor increases. An analysis of the relationship between space group and tolerance factor for the series LaAMnMO(6) (A = Ca, Sr, Ba; M = Sn, Ru) provides a better understanding of the symmetry determination for double perovskites.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 3
DOI: 10.1039/c0jm02614j
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“Anatomical and functional changes in the upper airways of sleep apnea patients due to mandibular repositioning: a large scale study”. van Holsbeke C, de Backer J, Vos W, Verdonck P, van Ransbeeck P, Claessens T, Braem M, Vanderveken O, de Backer W, Journal of biomechanics 44, 442 (2011). http://doi.org/10.1016/j.jbiomech.2010.09.026
Abstract: The obstructive sleep apnea-hypopnea syndrome (OSAHS) is a sleep related breathing disorder. A popular treatment is the use of a mandibular repositioning appliance (MRA) which advances the mandibula during the sleep and decreases the collapsibility of the upper airway. The success rate of such a device is, however, limited and very variable within a population of patients. Previous studies using computational fluid dynamics have shown that there is a decrease in upper airway resistance in patients who improve clinically due to an MRA. In this article, correlations between patient-specific anatomical and functional parameters are studied to examine how MRA induced biomechanical changes will have an impact on the upper airway resistance. Low-dose computed tomography (CT) scans are made from 143 patients suffering from OSAHS. A baseline scan and a scan after mandibular repositioning (MR) are performed in order to study variations in parameters. It is found that MR using a simulation bite is able to induce resistance changes by changing the pharyngeal lumen. The change in minimal cross-sectional area is the best parameter to predict the change in upper airway resistance. Looking at baseline values, the ideal patients for MR induced resistance decrease seem to be women with short airways, high initial resistance and no baseline occlusion.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Vision lab; Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW)
Impact Factor: 2.664
Times cited: 23
DOI: 10.1016/j.jbiomech.2010.09.026
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“Synthesis and crystal structure of the new complex oxide Ca7Mn2.14Ga5.86O17.93”. Kalyuzhnaya AS, Abakumov AM, Rozova MG, d' Hondt H, Hadermann J, Antipov EV, Russian chemical bulletin 59, 706 (2010). http://doi.org/10.1007/s11172-010-0150-z
Abstract: The complex oxide Ca7Mn2.14Ga5.86O17.93 was synthesized by the solid-state reaction in a sealed evacuated quartz tube at 1000 °C. Its crystal structure was determined by electron diffraction and X-ray powder diffraction. The structure can be represented as a tetrahedral framework, viz., the polyanion [(Mn0.285Ga0.715)15O29.86]19- stabilized by the incorporated cation [Ca14GaO6]19+. The polycation consists of the GaO6 octahedra surrounded by the Ca atoms, which are arranged to form a cube capped at all places. The tetrahedral framework is partially disordered due to the presence of tetrahedra with two possible orientations in the positions (0, 0, 0) and (x, x, x) with x ≈ 0.15 and 0.17. The relationship between the Ca7Mn2.14Ga5.86O17.93 structures and related ordered phases with the symmetry F23, as well as the influence of the oxygen content on the ordering in the tetrahedral framework, are discussed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.529
Times cited: 1
DOI: 10.1007/s11172-010-0150-z
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“Defected graphene nanoribbons under axial compression”. Neek-Amal M, Peeters FM, Applied physics letters 97, 153118 (2010). http://doi.org/10.1063/1.3496467
Abstract: The buckling of defected rectangular graphene nanoribbons when subjected to axial stress with supported boundary conditions is investigated using atomistic simulations. The buckling strain and mechanical stiffness of monolayer graphene decrease with the percentage of randomly distributed vacancies. The elasticity to plasticity transition in the stress-strain curve, at low percentage of vacancies, are found to be almost equal to the buckling strain thresholds and they decrease with increasing percentage of vacancies.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 43
DOI: 10.1063/1.3496467
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“Efficient numerical approach to inhomogeneous superconductivity: the Chebyshev-Bogoliubov-de Gennes method”. Covaci L, Peeters FM, Berciu M, Physical review letters 105, 167006 (2010). http://doi.org/10.1103/PhysRevLett.105.167006
Abstract: We propose a highly efficient numerical method to describe inhomogeneous superconductivity by using the kernel polynomial method in order to calculate the Greens functions of a superconductor. Broken translational invariance of any type (impurities, surfaces, or magnetic fields) can be easily incorporated. We show that limitations due to system size can be easily circumvented and therefore this method opens the way for the study of scenarios and/or geometries that were unaccessible before. The proposed method is highly efficient and amenable to large scale parallel computation. Although we only use it in the context of superconductivity, it is applicable to other inhomogeneous mean-field theories.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 8.462
Times cited: 80
DOI: 10.1103/PhysRevLett.105.167006
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“_BiMnFe2O6, a polysynthetically twinned hcp MO structure”. Yang T, Abakumov AM, Hadermann J, Van Tendeloo G, Nowik I, Stephens PW, Hamberger J, Tsirlin AA, Ramanujachary KV, Lofland S, Croft M, Ignatov A, Sun J, Greenblatt M, Chemical science 1, 751 (2010). http://doi.org/10.1039/c0sc00348d
Abstract: The most efficient use of spatial volume and the lowest potential energies in the metal oxide structures are based on cubic close packing (ccp) or hexagonal close packing (hcp) of anions with cations occupying the interstices. A promising way to tune the composition of close packed oxides and design new compounds is related to fragmenting the parent structure into modules by periodically spaced planar interfaces, such as twin planes at the unit cell scale. The unique crystal chemistry properties of cations with a lone electron pair, such as Bi3+ or Pb2+, when located at interfaces, enables them to act as chemical scissors, to help relieve configurational strain. With this approach, we synthesized a new oxide, BiMnFe2O6, where fragments of the hypothetical hcp oxygen-based MO structure (the NiAs structure type), for the first time, serve as the building modules in a complex transition metal oxide. Mn3+ and Fe3+ ions are randomly distributed in two crystallographically independent sites (M1 and M2). The structure consists of quasi two-dimensional blocks of the 2H hexagonal close packed MO structure cut along the (114) crystal plane of the hcp lattice and stacked along the c axis. The blocks are related by a mirror operation that allows BiMnFe2O6 to be considered as a polysynthetically twinned 2H hcp MO structure. The transition to an AFM state with an incommensurate spin configuration at [similar] 212 K is established by 57Fe Mössbauer spectroscopy, magnetic susceptibility, specific heat and low temperature powder neutron diffraction.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 8.668
Times cited: 12
DOI: 10.1039/c0sc00348d
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“Real-space simulations of spin-polarized electronic transitions in iron”. Schattschneider P, Verbeeck J, Mauchamp V, Jaouen M, Hamon A-L, Physical review : B : condensed matter and materials physics 82, 144418 (2010). http://doi.org/10.1103/PhysRevB.82.144418
Abstract: After the advent of energy-loss magnetic chiral dichroism (EMCD) in 2006, rapid progress in theoretical understanding and in experimental performance was achieved, recently demonstrating a spatial resolution of better than 2 nm. Similar to the x-ray magnetic circular dichroism technique, EMCD is used to study atom specific magnetic moments. The latest generation of electron microscopes opens the road to the mapping of spin moments on the atomic scale with this method. Here the theoretical background to reach this challenging aim is elaborated. Numerical simulations of the L3 transition in an Fe specimen, based on a combination of the density-matrix approach for inelastic electron scattering with the propagation of the probe electron in the lattice potential indicate the feasibility of single spin mapping in the electron microscope.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 11
DOI: 10.1103/PhysRevB.82.144418
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“Electronic and magnetic properties of superlattices of graphene/graphane nanoribbons with different edge hydrogenation”. Hernández-Nieves AD, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 82, 165412 (2010). http://doi.org/10.1103/PhysRevB.82.165412
Abstract: Zigzag graphene nanoribbons patterned on graphane are studied using spin-polarized ab initio calculations. We found that the electronic and magnetic properties of the graphene/graphane superlattice strongly depends on the degree of hydrogenation at the interfaces between the two materials. When both zigzag interfaces are fully hydrogenated, the superlattice behaves like a freestanding zigzag graphene nanoribbon, and the magnetic ground state is antiferromagnetic. When one of the interfaces is half hydrogenated, the magnetic ground state becomes ferromagnetic, and the system is very close to being a half metal with possible spintronics applications whereas the magnetic ground state of the superlattice with both interfaces half hydrogenated is again antiferromagnetic. In this last case, both edges of the graphane nanoribbon also contribute to the total magnetization of the system. All the spin-polarized ground states are semiconducting, independent of the degree of hydrogenation of the interfaces. The ab initio results are supplemented by a simple tight-binding analysis that captures the main qualitative features. Our ab initio results show that patterned hydrogenation of graphene is a promising way to obtain stable graphene nanoribbons with interesting technological applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 46
DOI: 10.1103/PhysRevB.82.165412
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“Proximity-induced pseudogap in mesoscopic superconductor/normal-metal bilayers”. Zha G-Q, Covaci L, Zhou S-P, Peeters FM, Physical review : B : condensed matter and materials physics 82, 140502 (2010). http://doi.org/10.1103/PhysRevB.82.140502
Abstract: Recent scanning tunneling microscopy (STM) measurements of the proximity effect in Au/La2−xSrxCuO4 and La1.55Sr0.45CuO4/La2−xSrxCuO4 bilayers showed a proximity-induced pseudogap [O. Yuli, I. Asulin, Y. Kalcheim, G. Koren, and O. Millo, Phys. Rev. Lett. 103, 197003 (2009)]. We describe the proximity effect in mesoscopic superconductor/normal-metal bilayers by using the Bogoliubov-de Gennes equations for a tight-binding Hamiltonian with competing antiferromagnetic and d-wave superconductivity orders. The temperature-dependent local density of states is calculated as a function of the distance from the interface. Bound state due to both d-wave and spin-density wave gaps are formed in the normal metal for energies less than the respective gaps. If there is a mismatch between the Fermi velocities in the two layers we observe that these states will shift in energy when spin-density wave order is present, thus inducing a minigap at finite energy. We conclude that the STM measurement in the proximity structures is able to distinguish between the two scenarios proposed for the pseudogap (competing or precursor to superconductivity).
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 7
DOI: 10.1103/PhysRevB.82.140502
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“Coupled anion and cation ordering in Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficientperovskites”. Abakumov AM, d' Hondt H, Rossell MD, Tsirlin AA, Gutnikova O, Filimonov DS, Schnelle W, Rosner H, Hadermann J, Van Tendeloo G, Antipov EV, Journal of solid state chemistry 183, 2845 (2010). http://doi.org/10.1016/j.jssc.2010.09.039
Abstract: The Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficient perovskites were prepared using a solid-state reaction in evacuated sealed silica tubes. Transmission electron microscopy and 57Fe Mössbauer spectroscopy evidenced a complete A-cations and oxygen vacancies ordering. The structure model was further refined by ab initio structure relaxation, based on density functional theory calculations. The compounds crystallize in a tetragonal a≈2√2ap≈11.3 Å, с≈4сp≈16 Å unit cell (ap: parameter of the perovskite subcell) with the P42/mnm space group. Oxygen vacancies reside in the (FeO5/4□3/4) layers, comprising corner-sharing FeO4 tetrahedra and FeO5 tetragonal pyramids, which are sandwiched between the layers of the FeO6 octahedra. Smaller R atoms occupy the 9-fold coordinated position, whereas the 10-fold coordinated positions are occupied by larger Sr atoms. The Fe sublattice is ordered aniferromagnetically up to at least 500 K, while the rare-earth sublattice remains disordered down to 2 K.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 8
DOI: 10.1016/j.jssc.2010.09.039
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“Anisotropic superconductivity and vortex dynamics in magnetically coupled F/S and F/S/F hybrids”. Karapetrov G, Belkin A, Iavarone M, Fedor J, Novosad V, Milošević, MV, Peeters FM, Journal of superconductivity and novel magnetism 24, 905 (2011). http://doi.org/10.1007/s10948-010-0880-z
Abstract: Magnetically coupled superconductorferromagnet hybrids offer advanced routes for nanoscale control of superconductivity. Magnetotransport characteristics and scanning tunneling microscopy images of vortex structures in superconductorferromagnet hybrids reveal rich superconducting phase diagrams. Focusing on a particular combination of a ferromagnet with a well-ordered periodic magnetic domain structure with alternating out-of-plane component of magnetization, and a small coherence length superconductor, we find directed nucleation of superconductivity above the domain wall boundaries. We show that near the superconductor-normal state phase boundary the superconductivity is localized in narrow mesoscopic channels. In order to explore the Abrikosov flux line ordering in F/S hybrids, we use a combination of scanning tunneling microscopy and GinzburgLandau simulations. The magnetic stripe domain structure induces periodic local magnetic induction in the superconductor, creating a series of pinninganti-pinning channels for externally added magnetic flux quanta. Such laterally confined Abrikosov vortices form quasi-1D arrays (chains). The transitions between multichain states occur through propagation of kinks at the intermediate fields. At high fields we show that the system becomes nonlinear due to a change in both the number of vortices and the confining potential. In F/S/F hybrids we demonstrate the evolution of the anisotropic conductivity in the superconductor that is magnetically coupled with two adjacent ferromagnetic layers. Stripe magnetic domain structures in both F-layers are aligned under each other, resulting in a directional superconducting order parameter in the superconducting layer. The conductance anisotropy strongly depends on the period of the magnetic domains and the strength of the local magnetization. The anisotropic conductivity of up to three orders of magnitude can be achieved with a spatial critical temperature modulation of 5% of T c. Induced anisotropic properties in the F/S and F/S/F hybrids have a potential for future application in switching and nonvolatile memory elements operating at low temperatures.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.18
Times cited: 2
DOI: 10.1007/s10948-010-0880-z
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“Electronic and dynamical properties of Si/Ge core-shell nanowires”. Peelaers H, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 82, 113411 (2010). http://doi.org/10.1103/PhysRevB.82.113411
Abstract: Full ab initio techniques are applied to study the electronic and dynamical properties of free standing, hydrogen-passivated Si/Ge core-shell nanowires oriented along the [110] direction. All studied wires exhibit a direct band gap and are found to be structurally stable. The different contributions of the core and shell atoms to the phonon spectra are identified. The acoustic phonon velocities and the frequencies of some typical optical modes are compared with those of pure Si and Ge nanowires. These depend either on the concentration or on the type of core material. Optical modes are hardened and longitudinal acoustic velocities are softened with decreasing wire diameter.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 13
DOI: 10.1103/PhysRevB.82.113411
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