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“Nonlinear transport phenomena in a triangular quantum well”. Kastalsky A, Peeters FM, Chan WK, Florez LT, Harbison JP, Applied physics letters 59, 1708 (1991)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.302
Times cited: 11
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“Optical conductance and transmission in bilayer graphene”. Dhong HM, Zhang J, Peeters FM, Xu W, Journal of applied physics 106, 043103 (2009). http://doi.org/10.1063/1.3200959
Abstract: We present a theoretical study of the optoelectronic properties of bilayer graphene. The optical conductance and transmission coefficient are calculated using the energy-balance equation derived from a Boltzmann equation for an air/graphene/dielectric-wafer system. For short wavelengths (<0.2 µm), we obtain the universal optical conductance =e2/(2). Interestingly, there exists an optical absorption window in the wavelength range 10100 µm, which is induced by different transition energies required for inter- and intra-band optical absorptions in the presence of the MossBurstein effect. As a result, the position and width of this absorption window depend sensitively on temperature, carrier density, and sample mobility of the system. These results are relevant for applications of recently developed graphene devices in advanced optoelectronics such as the infrared photodetectors.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 11
DOI: 10.1063/1.3200959
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“Ordering principles and defect structure of “1201”, “1212”, and “1222&rdquo, type (Hg,Pr)-Sr-(Sr,Ca,Pr)-Cu-O superconductors”. Van Tendeloo G, Hervieu M, Zhang XF, Raveau B, Journal of solid state chemistry 114, 369 (1995). http://doi.org/10.1006/jssc.1995.1057
Abstract: The new families of superconducting compounds ''1201'' (Hg0.4Pr0.6Sr2CuO4+delta), ''1212'' (Hg0.4Pr0.6Sr2(Ca1-x-ySrxPry) Cu2O6+delta), and ''1222'' (Hg0.4Pr0.6Sr2(Pr1.7Sr0.3)(2)Cu2O8+delta) all show ordering between praseodymium and mercury in the (Hg,Pr)O-delta plane, reducing the symmetry from tetragonal to orthorhombic or even to monoclinic. In the 1201 compound the ordered superstructure can be described as O-I (a(I) approximate to 2a(p), b(I), approximate to a(p), c(I) approximate to c(1201)). In the 1212 compound two distinct superstructures are identified, O-I (a(I) approximate to 2a(p), b(II) approximate to a(p), c(I) approximate to c(1212)) and O-II (a(II) approximate to 2a(p), b(II) approximate to a(p), c(II) approximate to 2c(1212)). In some compounds, such as Hg0.4Pr0.6Sr2(Ca0.4Sr0.4Pr0.2) Cu2O6+delta, the Hg-Pr ordering is only present in microdomains, but due to an ordering between Sr layers and Ca layers, the c-axis doubles and one obtains a tetragonal superstructure T-III (a(III) approximate to a(p), c(III) approximate to 2c(1212)). In the 1222 compound, ordering in the (Pr,Hg)O-delta plane is very defective; a large number of translation defects actually reduce the symmetry to triclinic. (C) 1995 Academic Press, Inc.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.133
Times cited: 11
DOI: 10.1006/jssc.1995.1057
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“Photovoltaic effect and evidence of carrier multiplication in graphene vertical homojunctions with asymmetrical metal contacts”. Chen JJ, Wang Q, Meng J, Ke X, Van Tendeloo G, Bie YQ, Liu J, Liu K, Liao ZM, Sun D, Yu D;, ACS nano 9, 8851 (2015). http://doi.org/10.1021/acsnano.5b02356
Abstract: Graphene exhibits exciting potentials for high-speed wideband photodetection and high quantum efficiency solar energy harvest because of its broad spectral absorption, fast photoelectric response, and potential carrier multiplication. Although photocurrent can be generated near a metalgraphene interface in lateral devices, the photoactive area is usually limited to a tiny one-dimensional line-like interface region. Here, we report photoelectric devices based on vertical graphene two-dimensional homojunction, which is fabricated via vertically stacking four graphene monolayers with asymmetric metal contacts. The devices show excellent photovoltaic output with excitation wavelength ranging from visible light to mid-infrared. The wavelength dependence of the internal quantum efficiency gives direct evidence of the carrier multiplication effect in graphene. The simple fabrication process, easy scale-up, large photoresponsive active area, and broadband response of the vertical graphene device are very promising for practical applications in optoelectronics and photovoltaics.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 13.942
Times cited: 11
DOI: 10.1021/acsnano.5b02356
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“Re-entrant pinning of Wigner molecules in a magnetic field due to a Coulomb impurity”. Szafran B, Peeters FM, Europhysics letters 66, 701 (2004). http://doi.org/10.1209/epl/i2003-10250-8
Abstract: Pinning of magnetic-field-induced Wigner molecules (WMs) confined in parabolic two-dimensional quantum dots by a charged defect is studied by an exact diagonalization approach. We found a re-entrant pinning of the WMs as a function of the magnetic field, a magnetic-field-induced re-orientation of the WMs and a qualitatively different pinning behaviour in the presence of a positive and negative Coulomb impurity.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.957
Times cited: 11
DOI: 10.1209/epl/i2003-10250-8
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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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“Self-assembly of Janus particles confined in a channel”. Sobrino Fernandez M, Misko VR, Peeters FM, Physical review : E : statistical, nonlinear, and soft matter physics 89, 022306 (2014). http://doi.org/10.1103/PhysRevE.89.022306
Abstract: Janus particles present an important class of building blocks for directional assembly. These are compartmentalized colloids with two different hemispheres. Here, we consider a two-dimensional model of Janus disks consisting of a hydrophobic semicircle and an electro-negatively charged one. Placed in a solution, the hydrophobic sides will attract each other while the charged sides will give rise to a repulsive force. Using molecular dynamics simulations, we study the morphology of these particles when confined in a channel-like environment using a one dimensional harmonic confinement potential. The interest to this system is first of all due to the fact that it could serve as a simple model for membrane formation. Indeed, the recently synthesized new class of artificial amphiphiles, known as Janus dendrimers, were shown to self-assemble in bilayer structures mimicking biological membranes. In turn, Janus particles that combine the amphiphilicity and colloidal rigidity serve as a good model for Janus dendrimers. A variety of ordered membrane-like morphologies are found consisting of single and multiple chain configurations with different orientations of the particles with respect to each other that we summarize in a phase diagram.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.366
Times cited: 11
DOI: 10.1103/PhysRevE.89.022306
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“Stabilisation of bipolarons by polaron environment”. Shanenko AA, Smondyrev MA, Devreese JT, Solid state communications 98, 1091 (1996)
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 1.897
Times cited: 11
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“Structure of binary colloidal systems confined in a quasi-one-dimensional channel”. Yang W, Nelissen K, Kong M, Zeng Z, Peeters FM, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 79, 041406 (2009). http://doi.org/10.1103/PhysRevE.79.041406
Abstract: The structural properties of a binary colloidal quasi-one-dimensional system confined in a narrow channel are investigated through modified Monte Carlo simulations. Two species of particles with different magnetic moment interact through a repulsive dipole-dipole force are confined in a quasi-one-dimensional channel. The impact of three decisive parameters (the density of particles, the magnetic-moment ratio, and the fraction between the two species) on the transition from disordered phase to crystal-like phases and the transitions among the different mixed phases are summarized in a phase diagram.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.366
Times cited: 11
DOI: 10.1103/PhysRevE.79.041406
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“Surface enhanced Raman scattering of silver sensitized cobalt nanoparticles in metaldielectric nanocomposites”. Margueritat J, Gonzalo J, Afonso CN, Hörmann U, Van Tendeloo G, Mlayah A, Murray DB, Saviot L, Zhou Y, Hong MH, Luk'yanchuk BS, Nanotechnology 19, 375701 (2008). http://doi.org/10.1088/0957-4484/19/37/375701
Abstract: We report the preparation of a new type of nanocomposite containing cobalt and silver nanoparticles organized in parallel layers with a well controlled separation. This arrangement allows the observation of an enhanced low-frequency Raman signal at the vibration frequency of cobalt nanoparticles excited through the surface plasmons of silver nanoparticles. Numerical simulations of the electric field confirm the emergence of hot spots when the separation between silver and cobalt nanoparticles is small enough.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.44
Times cited: 11
DOI: 10.1088/0957-4484/19/37/375701
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“Synergy between transmission electron microscopy and powder diffraction : application to modulated structures”. Batuk D, Batuk M, Abakumov AM, Hadermann J, Acta crystallographica: section B: structural science 71, 127 (2015). http://doi.org/10.1107/S2052520615005466
Abstract: The crystal structure solution of modulated compounds is often very challenging, even using the well established methodology of single-crystal X-ray crystallography. This task becomes even more difficult for materials that cannot be prepared in a single-crystal form, so that only polycrystalline powders are available. This paper illustrates that the combined application of transmission electron microscopy (TEM) and powder diffraction is a possible solution to the problem. Using examples of anion-deficient perovskites modulated by periodic crystallographic shear planes, it is demonstrated what kind of local structural information can be obtained using various TEM techniques and how this information can be implemented in the crystal structure refinement against the powder diffraction data. The following TEM methods are discussed: electron diffraction (selected area electron diffraction, precession electron diffraction), imaging (conventional high-resolution TEM imaging, high-angle annular dark-field and annular bright-field scanning transmission electron microscopy) and state-of-the-art spectroscopic techniques (atomic resolution mapping using energy-dispersive X-ray analysis and electron energy loss spectroscopy).
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.032
Times cited: 11
DOI: 10.1107/S2052520615005466
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“Mg8Rh4B: a new type of boron stabilized Ti2Ni structure”. Alekseeva AM, Abakumov AM, Leithe-Jasper A, Schnelle W, Prots Y, Van Tendeloo G, Antipov EV, Grin Y, Journal of solid state chemistry 179, 2751 (2006). http://doi.org/10.1016/j.jssc.2005.11.029
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 11
DOI: 10.1016/j.jssc.2005.11.029
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“Sn2-2xSbxFexO4 solid solutions as possible inert anode materials in aluminum electrolysis”. Govorov VA, Abakumov AM, Rozova MG, Borzenko AG, Vassiliev SY, Mazin VM, Afanasov MI, Fabritchnyi PB, Tsirlina GA, Antipov EV, Morozova EN, Gippius AA, Ivanov VV, Van Tendeloo G, Chemistry of materials 17, 3004 (2005). http://doi.org/10.1021/cm048145i
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 11
DOI: 10.1021/cm048145i
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“The analysis of macrotwins in NiAl martensite”. Ball JM, Schryvers D, Journal de physique: 4
T2 –, 10th International Conference on Martensitic Transformations, JUN 10-14, 2002, ESPOO, FINLAND 112, 159 (2003). http://doi.org/10.1051/jp4:2003855
Abstract: We present a theoretical study of macrotwins arising in cubic to tetragonal martensitic transformations. The results help to explain some features of such macrotwins observed in Ni65Al35.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 11
DOI: 10.1051/jp4:2003855
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“The study of a crater forming on the surface of a Ti target submitted to multipulse excimer laser irradiation under low pressure N2”. Teodorescu VS, Mihailescu IN, Gyorgy E, Luches A, Martino M, Nistor LC, van Landuyt J, Hermann J, Journal of modern optics 43, 1773 (1996). http://doi.org/10.1080/095003496154815
Abstract: A Ti target was submitted to laser ablation in low ambient pressure N-2. Electron microscopy examination of the cross-section of the crater zone forming on the Ti target, and XPS analyses, indicate that there is a small effect on the nitridation processes taking place on and in the vicinity of the target. The studies show a zone influenced by the multipulse laser treatment extending beneath the crater down to a depth of the same order of magnitude as the crater depth (i.e. similar to 10 mu m). In this zone, TiN could be identified as being present only in traces, while the whole zone exhibited a layer structure with differences in morphology and mechanical wear.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.008
Times cited: 11
DOI: 10.1080/095003496154815
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“Tunable diffusion of magnetic particles in a quasi-one-dimensional channel”. Lucena D, Ferreira WP, Munarin FF, Farias GA, Peeters FM, Physical review : E : statistical, nonlinear, and soft matter physics 87, 012307 (2013). http://doi.org/10.1103/PhysRevE.87.012307
Abstract: The diffusion of a system of ferromagnetic dipoles confined in a quasi-one-dimensional parabolic trap is studied using Brownian dynamics simulations. We show that the dynamics of the system is tunable by an in-plane external homogeneous magnetic field. For a strong applied magnetic field, we find that the mobility of the system, the exponent of diffusion, and the crossover time among different diffusion regimes can be tuned by the orientation of the magnetic field. For weak magnetic fields, the exponent of diffusion in the subdiffusive regime is independent of the orientation of the external field. DOI: 10.1103/PhysRevE.87.012307
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.366
Times cited: 11
DOI: 10.1103/PhysRevE.87.012307
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“Two variants of the 1/2[110]p(203)p crystallographic shear structures: the phasoid Sr0.61Pb0.18(Fe0.75Mn0.25)O2.29”. Lepoittevin C, Hadermann J, Malo S, Pérez O, Van Tendeloo G, Hervieu M, Inorganic chemistry 48, 8257 (2009). http://doi.org/10.1021/ic900762s
Abstract: For the composition (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29, a new modulated crystallographic shear structure, related to perovskite, has been synthesized and structurally characterized by transmission electron microscopy. The structure can be described using a monoclinic supercell with cell parameters am = 27.595(2) Å, bm = 3.8786(2) Å, cm = 13.3453(9) Å, and βm = 100.126(5)°, refined from powder X-ray diffraction data. The incommensurate crystallographic shear phases require an alternative approach using the superspace formalism. This allows a unified description of the incommensurate phases from a monoclinically distorted perovskite unit cell and a modulation wave vector. The structure deduced from the high-resolution transmission electron microscopy and high-angle annular dark-field−scanning transmission electron microscopy images is that of a 1/2[110]p(203)p crystallographic shear structure. The structure follows the concept of a phasoid, with two coexisting variants with the same unit cell. The difference is situated at the translational interface, with the local formation of double (phase 2) or single (phase 1) tunnels, where the Pb cations are likely located.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 11
DOI: 10.1021/ic900762s
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“Ultralow blocking temperature and breakdown of the giant spin model in Er3+-doped nanoparticles”. van den Heuvel W, Tikhomirov VK, Kirilenko D, Schildermans N, Chibotaru LF, Vanacken J, Gredin P, Mortier M, Van Tendeloo G, Moshchalkov VV, Physical review : B : condensed matter and materials physics 82, 094421 (2010). http://doi.org/10.1103/PhysRevB.82.094421
Abstract: The magnetization of luminescent Er3+-doped PbF2 nanoparticles (formula Er0.3Pb0.7F2.3) has been studied. Despite the high concentration of the doping Er3+ ions and relatively large size (8 nm) of these nanoparticles we have found no deviation between field-cooled and zero-field-cooled magnetization curves down to T=0.35 K, which points out an ultralow blocking temperature for the reversal of magnetization. We also have found strongly deviating magnetization curves M(H/T) for different temperatures T. These results altogether show that the investigated nanoparticles are not superparamagnetic, but rather each Er3+ ion in these nanoparticles is found in a paramagnetic state down to very low temperatures, which implies the breakdown of the Néel-Brown giant spin model in the case of these nanoparticles. Calculations of magnetization within a paramagnetic model of noninteracting Er3+ ions completely support this conclusion. Due to the ultralow blocking temperature, these nanoparticles have a potential for magnetic field-induced nanoscale refrigeration with an option of their optical localization and temperature control.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 11
DOI: 10.1103/PhysRevB.82.094421
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“Multi-level molecular modelling for plasma medicine”. Bogaerts A, Khosravian N, Van der Paal J, Verlackt CCW, Yusupov M, Kamaraj B, Neyts EC, Journal of physics: D: applied physics 49, 054002 (2016). http://doi.org/10.1088/0022-3727/49/5/054002
Abstract: Modelling at the molecular or atomic scale can be very useful for obtaining a better insight in plasma medicine. This paper gives an overview of different atomic/molecular scale modelling approaches that can be used to study the direct interaction of plasma species with biomolecules or the consequences of these interactions for the biomolecules on a somewhat longer time-scale. These approaches include density functional theory (DFT), density functional based tight binding (DFTB), classical reactive and non-reactive molecular dynamics (MD) and united-atom or coarse-grained MD, as well as hybrid quantum mechanics/molecular mechanics (QM/MM) methods. Specific examples will be given for three important types of biomolecules, present in human cells, i.e. proteins, DNA and phospholipids found in the cell membrane. The results show that each of these modelling approaches has its specific strengths and limitations, and is particularly useful for certain applications. A multi-level approach is therefore most suitable for obtaining a global picture of the plasma–biomolecule interactions.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 11
DOI: 10.1088/0022-3727/49/5/054002
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“Direct Imaging of ALD Deposited Pt Nanoclusters inside the Giant Pores of MIL-101”. Meledina M, Turner S, Filippousi M, Leus K, Lobato I, Ramachandran RK, Dendooven J, Detavernier C, Van Der Voort P, Van Tendeloo G, Particle and particle systems characterization 33, 382 (2016). http://doi.org/10.1002/ppsc.201500252
Abstract: MIL-101 giant-pore metal-organic framework (MOF) materials have been loaded with Pt nanoparticles using atomic layer deposition. The final structure has been investigated by aberration-corrected annular dark-field scanning transmission electron microscopy under strictly controlled low dose conditions. By combining the acquired experimental data with image simulations, the position of the small clusters within the individual pores of a metal-organic framework has been determined. The embedding of the Pt nanoparticles is confirmed by electron tomography, which shows a distinct ordering of the highly uniform Pt nanoparticles. The results show that atomic layer deposition is particularly well-suited for the deposition of individual nanoparticles inside MOF framework pores and that, upon proper regulation of the incident electron dose, annular dark-field scanning transmission electron microscopy is a powerful tool for the characterization of this type of materials at a local scale.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.474
Times cited: 11
DOI: 10.1002/ppsc.201500252
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“CVD diamond growth from nanodiamond seeds buried under a thin chromium layer”. Degutis G, Pobedinskas P, Turner S, Lu Y-G, Al Riyami S, Ruttens B, Yoshitake T, D'Haen J, Haenen K, Verbeeck J, Hardy A, Van Bael MK, Diamond and related materials 64, 163 (2016). http://doi.org/10.1016/j.diamond.2016.02.013
Abstract: This work presents a morphological and structural analysis of CVD diamond growth on silicon from nanodiamond seeds covered by a 50 nm thick chromium layer. The role of carbon diffusion as well as chromium and carbon silicide formation is analyzed. The local diamond environment is investigated by scanning transmission electron microscopy in combination with electron energy-loss spectroscopy. The evolution of the diamond phase composition (sp3/sp2) is evaluated by micro-Raman spectroscopy. Raman and X-ray diffraction analysis are used to identify the interfacial phases formed during CVD growth. Based upon the observed morphological and structural evolution, a diamond growth model from nanodiamond seeds buried beneath a thin Cr layer is proposed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.561
Times cited: 11
DOI: 10.1016/j.diamond.2016.02.013
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“Influence of defect distribution on the reducibility of CeO2-x nanoparticles”. Spadaro MC, Luches P, Bertoni G, Grillo V, Turner S, Van Tendeloo G, Valeri S, D'Addato S, Nanotechnology 27, 425705 (2016). http://doi.org/10.1088/0957-4484/27/42/425705
Abstract: Ceria nanoparticles (NPs) are fundamental in heterogeneous catalysis because of their ability to store or release oxygen depending on the ambient conditions. Their oxygen storage capacity is strictly related to the exposed planes, crystallinity, density and distribution of defects. In this work a study of ceria NPs produced with a ligand-free, physical synthesis method is presented. The NP films were grown by a magnetron sputtering based gas aggregation source and studied by high resolution- and scanning-transmission electron microscopy and x-ray photoelectron spectroscopy. In particular, the influence of the oxidation procedure on the NP reducibility has been investigated. The different reducibility has been correlated to the exposed planes, crystallinity and density and distribution of structural defects. The results obtained in this work represent a basis to obtain cerium oxide NP with desired oxygen transport properties.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.44
Times cited: 11
DOI: 10.1088/0957-4484/27/42/425705
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“Engineering excitonic dynamics and environmental stability of post-transition metal chalcogenides by pyridine functionalization technique”. Meng X, Pant A, Cai H, Kang J, Sahin H, Chen B, Wu K, Yang S, Suslu A, Peeters FM, Tongay S;, Nanoscale 7, 17109 (2015). http://doi.org/10.1039/c5nr04879f
Abstract: http://cmt.ua.ac.be/hsahin/publishedpapers/46.pdf
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 7.367
Times cited: 11
DOI: 10.1039/c5nr04879f
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“Hexagonal-shaped monolayer-bilayer quantum disks in graphene : a tight-binding approach”. da Costa, Zarenia M, Chaves A, Pereira JM Jr, Farias GA, Peeters FM, Physical review B 94, 035415 (2016). http://doi.org/10.1103/PhysRevB.94.035415
Abstract: Using the tight-binding approach, we investigate confined states in two different hybrid monolayer-bilayer systems: (i) a hexagonal monolayer area surrounded by bilayer graphene in the presence of a perpendicularly applied electric field and (ii) a hexagonal bilayer graphene dot surrounded by monolayer graphene. The dependence of the energy levels on dot size and external magnetic field is calculated. We find that the energy spectrum for quantum dots with zigzag edges consists of states inside the gap which range from dot-localized states, edge states, to mixed states coexisting together, whereas for dots with armchair edges, only dot-localized states are observed.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 11
DOI: 10.1103/PhysRevB.94.035415
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“Majorana zero-energy modes and spin current evolution in mesoscopic superconducting loop systems with spin-orbit interaction”. Zha G-Q, Covaci L, Peeters FM, Zhou S-P, Physical review : B : condensed matter and materials physics 92, 094516 (2015). http://doi.org/10.1103/PhysRevB.92.094516
Abstract: The Majorana zero modes and persistent spin current in mesoscopic d-wave-superconducting loops with spin-orbit (SO) interaction are investigated by numerically solving the spin-generalized Bogoliubov-de Gennes equations self-consistently. For some appropriate strength of the SO coupling, Majorana zero-energy states and sharp jumps of the spin-polarized currents can be observed when the highest energy levels cross the Fermi energy in the spectrum, leading to spin currents with opposite chirality flowing near the inner and outer edges of the sample. When the threaded magnetic flux turns on, four flux-dependent patterns of the persistent spin current with step-like features show up, accompanied by Majorana edge modes at flux values where the energy gap closes. Moreover, the Majorana zero mode is highly influenced by the direction of the Zeeman field. A finite in-plane field can lead to the gap opening since the inversion symmetry is broken. Remarkably, multiple Majorana zero-energy states occur in the presence of an out-of-plane field h(z), and the number of steps in the spin current evolution can be effectively tuned by the field strength due to the shift of Majorana zero modes. Finally, when the loop sample contains surface indentation defects, zero-energy modes can always show up in the presence of an appropriate h(z). Interestingly, multiple Majorana states may be present in the system with a corner defect even if h(z) = 0.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 11
DOI: 10.1103/PhysRevB.92.094516
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“Structural, electrochemical and magnetic properties of a novel KFeSO4F polymorph”. Lander L, Rousse G, Abakumov AM, Sougrati M, Van Tendeloo G, Tarascon J-M, Journal of materials chemistry A : materials for energy and sustainability 3, 19754 (2015). http://doi.org/10.1039/c5ta05548b
Abstract: In the quest for sustainable and low-cost positive electrode materials for Li-ion batteries, we discovered, as reported herein, a new low temperature polymorph of KFeSO4F. Contrary to the high temperature phase crystallizing in a KTiOPO4-like structure, this new phase adopts a complex layer-like structure built on FeO4F2 octahedra and SO4 tetrahedra, with potassium cations located in between the layers, as solved using neutron and synchrotron diffraction experiments coupled with electron diffraction. The detailed analysis of the structure reveals an alternation of edge-and corner-shared FeO4F2 octahedra leading to a large monoclinic cell of 1771.774(7) angstrom(3). The potassium atoms are mobile within the structure as deduced by ionic conductivity measurements and confirmed by the bond valence energy landscape approach thus enabling a partial electrochemical removal of K+ and uptake of Li+ at an average potential of 3.7 V vs. Li+/Li-0. Finally, neutron diffraction experiments coupled with SQUID measurements reveal a long range antiferromagnetic ordering of the Fe2+ magnetic moments below 22 K with a possible magnetoelectric behavior.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 8.867
Times cited: 11
DOI: 10.1039/c5ta05548b
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“Texturing of hydrothermally synthesized BaTiO3 in a strong magnetic field by slip casting”. Özen M, Mertens M, Snijkers F, Van Tendeloo G, Cool P, Ceramics international 42, 5382 (2016). http://doi.org/10.1016/j.ceramint.2015.12.073
Abstract: Barium titanate powder was processed by slip casting in a rotating strong magnetic field of 9.4 T. The orientation factor of the sintered compact was analyzed by the X-ray diffraction technique and the microstructure (grain-size) was analyzed by scanning electron microscope. The hydrothermally prepared barium titanate was used as matrix material and the molten-salt synthesized barium titanate, with a larger particle-size, was used as template for the templated grain-growth process. Addition of large template particles was observed to increase the orientation factor of the sintered cast (5 vol% loading). Template particles acted as starting grains for the abnormal grain-growth process and the average grain-size was increased after sintering. Increasing the solid loading (15 vol%) resulted in a similar orientation factor with a decrease of the average grain size by more than half. However, addition of templates to the 15 vol% cast had a negative effect on the orientation factor. The impingement of growing particles was stated as the primary cause of particle misorientation resulting in a low orientation factor after sintering. Different heating conditions were tested and it was determined that a slow heating rate gave the highest orientation factor, the smallest average grain-size and the highest relative density. (C) 2015 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Impact Factor: 2.986
Times cited: 11
DOI: 10.1016/j.ceramint.2015.12.073
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“Transport properties of bilayer graphene in a strong in-plane magnetic field”. Van der Donck M, Peeters FM, Van Duppen B, Physical review B 93, 115423 (2016). http://doi.org/10.1103/PhysRevB.93.115423
Abstract: A strong in-plane magnetic field drastically alters the low-energy spectrum of bilayer graphene by separating the parabolic energy dispersion into two linear Dirac cones. The effect of this dramatic change on the transport properties strongly depends on the orientation of the in-plane magnetic field with respect to the propagation direction of the charge carriers and the angle at which they impinge on the electrostatic potentials. For magnetic fields oriented parallel to the potential boundaries an additional propagating mode that results from the splitting into Dirac cones enhances the transmission probability for charge carriers tunneling through the potentials and increases the corresponding conductance. Our results show that the chiral suppression of transmission at normal incidence, reminiscent of bilayer graphene's 2 pi Berry phase, is turned into a chiral enhancement when the magnetic field increases, thus indicating a transition from a bilayer to a monolayer-like system at normal incidence. Further, we find that the typical transmission resonances stemming from confinement in a potential barrier are shifted to higher energy and are eventually transformed into antiresonances with increasing magnetic field. For magnetic fields oriented perpendicular to the potential boundaries we find a very pronounced transition from a bilayer system to two separated monolayer-like systems with Klein tunneling emerging at certain incident angles symmetric around 0, which also leaves a signature in the conductance. For both orientations of the magnetic field, the transmission probability is still correctly described by pseudospin conservation. Finally, to motivate the large in-plane magnetic field, we show that its energy spectrum can be mimicked by specific lattice deformations such as a relative shift of one of the layers. With this equivalence we introduce the notion of an in-plane pseudomagnetic field.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 11
DOI: 10.1103/PhysRevB.93.115423
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“Shape-Resonant Superconductivity in Nanofilms: from Weak to Strong Coupling”. Cariglia M, Vargas-Paredes A, Doria MM, Bianconi A, Milošević, MV, Perali A, Journal of superconductivity and novel magnetism 29, 3081 (2016). http://doi.org/10.1007/S10948-016-3673-1
Abstract: Ultrathin superconductors of different materials are becoming a powerful platform to find mechanisms for enhancement of superconductivity, exploiting shape resonances in different superconducting properties. Here, we evaluate the superconducting gap and its spatial profile, the multiple gap components, and the chemical potential, of generic superconducting nanofilms, considering the pairing attraction and its energy scale as tunable parameters, from weak to strong coupling, at fixed electron density. Superconducting properties are evaluated at mean field level as a function of the thickness of the nanofilm, in order to characterize the shape resonances in the superconducting gap. We find that the most pronounced shape resonances are generated for weakly coupled superconductors, while approaching the strong coupling regime the shape resonances are rounded by a mixing of the subbands due to the large energy gaps extending over large energy scales. Finally, we find that the spatial profile, transverse to the nanofilm, of the superconducting gap acquires a flat behavior in the shape resonance region, indicating that a robust and uniform multigap superconducting state can arise at resonance.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.18
Times cited: 11
DOI: 10.1007/S10948-016-3673-1
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“Calculation of binary and ternary metallic immiscible clusters with icosahedral structures”. Dzhurakhalov AA, Atanasov I, Hou M, Physical review : B : condensed matter and materials physics , 115415 (2008). http://doi.org/10.1103/PHYSREVB.77.115415
Abstract: Recently, core-shell Ag-Co, Ag-Cu, and “onionlike” Cu-Co equilibrium configurations were predicted in the case of isolated face centered cubic (fcc) bimetallic clusters, and three shell onionlike configurations were predicted in the case of ternary metallic clusters with spherical and truncated octahedral morphologies. In the present paper, immiscible binary CuCo and ternary AgCuCo clusters with icosahedral structures are studied as functions of their size and composition. Clusters studied are formed by 13, 55, 147, 309, and 561 atoms corresponding to the five smallest possible closed shell icosahedral structures. An embedded atom model potential is used to describe their cohesion. Equilibrium configurations are investigated by means of Metropolis Monte Carlo free energy minimization in the (NPT) canonical ensemble. Most simulations are achieved at 10 and 300 K. The effect of temperature on segregation ordering is systematically investigated. Selected cases are used to identify the effect of size and composition on melting. In contrast with fcc clusters, homogeneous onionlike configurations of binary clusters are not predicted. When it is allowed by the composition, a complete outer shell is formed by Cu in binary Cu-Co clusters and by Ag in ternary Ag-Cu-Co clusters. Depending on temperature, Co may precipitate into decahedral groups under the Cu vertices of the icosahedra in binary clusters, while the Co-Cu configuration in ternary clusters drastically depends on the Ag coating. Despite the multicomponent character of the clusters and the immiscibility of the species forming them, for most compositions and sizes, equilibrium structures remain close to perfectly icosahedral at 10 K as well as at 300 K.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.836
Times cited: 11
DOI: 10.1103/PHYSREVB.77.115415
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