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“An effective morphology control of hydroxyapatite crystals via hydrothermal synthesis”. Neira IS, Kolen'ko YV, Lebedev OI, Van Tendeloo G, Gupta HS, Guitián F, Yoshimura M, Crystal growth &, design 9, 466 (2009). http://doi.org/10.1021/cg800738a
Abstract: A facile urea-assisted hydrothermal synthesis and systematic characterization of hydroxyapatite (HA) with calcium nitrate tetrahydrate and diammonium hydrogen phosphate as precursors are reported. The advantage of the proposed technique over previously reported synthetic approaches is the simple but precise control of the HA crystals morphology, which is achieved by employing an intensive, stepwise, and slow thermal decomposition of urea as well as varying initial concentrations of starting reagents. Whereas the plate-, hexagonal prism- and needle-like HA particles preferentially growth along the c-axis, the smaller and fine-plate-like HA crystals demonstrate crystal growth along the (102) and (211) directions, uncommon for HA. Furthermore, it was established that the hydrothermally derived powdered products are phase-pure HA containing CO32− anions in the crystal lattice, that is, AB-type carbonated hydroxyapatite. Transmission electron microscopy (TEM) and electron diffraction (ED) of selected samples reveal that the as-prepared HA crystals are single-crystalline and exhibit a nearly defect-free microstructure. The hardness and elastic modulus of the hexagonal prism-like HA crystals have been investigated on a nanoscale using the nanoindentation technique; the observed trends are discussed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.055
Times cited: 183
DOI: 10.1021/cg800738a
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“Effective radius of superconducting rings and hollow cylinders”. Yampolskii SV, Peeters FM, Baelus BJ, Fink HJ, Physical review : B : condensed matter and materials physics 64, 052504 (2001). http://doi.org/10.1103/PhysRevB.64.052504
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PhysRevB.64.052504
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“Effective spin-orbit interaction Hamiltonian for quasi-one-dimensional quantum rings”. Shakouri K, Szafran B, Esmaeilzadeh M, Peeters FM, Physical review : B : condensed matter and materials physics 85, 165314 (2012). http://doi.org/10.1103/PhysRevB.85.165314
Abstract: The effective Hamiltonian for an electron in a quasi-one-dimensional quantum ring in the presence of spin-orbit interactions is derived. We demonstrate that, when both coupling types are simultaneously present, the effective Hamiltonian derived by the lowest-radial-state approximation produces energy spectra and charge densities which deviate strongly from the exact ones. For equal Rashba and Dresselhaus coupling constants the lowest-radial-state approximation opens artifactal avoided crossings in the energy spectra and deforms the circular symmetry of the confined charge densities. In this case, there does not exist a ring thin enough to justify the restriction to the lowest radially quantized energy state. We derive the effective Hamiltonian accounting for both the lowest and the first excited radial states, and show that the inclusion of the latter restores the correct features of the exact solution. Relation of this result to the states of a quantum wire is also discussed.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 32
DOI: 10.1103/PhysRevB.85.165314
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“Effects of boundaries in mesoscopic superconductors”. Romaguera AR de C, Doria MM, Peeters FM, Physica: C : superconductivity 460, 1232 (2007). http://doi.org/10.1016/j.physc.2007.04.178
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 3
DOI: 10.1016/j.physc.2007.04.178
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“Effects of confinement in strongly-coupled superlattices on impurity bound magneto-polarons”. Shi JM, Peeters FM, Devreese JT, Cheng J-P, Kono J, McCombe BD, Proceedings of the International Conference on the Physics of Semiconductors 22, 2267 (1994)
Keywords: P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
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“Effects of DX centers on electronic structure of a ?-doped quantum barrier”. Shi JM, Koenraad PM, van de Stadt AFW, Peeters FM, Devreese JT, Wolter JH, , 2355 (1996)
Keywords: P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
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“Effects of fluorination on the structure and superconducting properties of Y2Ba4Cu7O14+ phases”. Abakumov A, Rozova M, Shpanchenko R, Kovba M, Putilin S, Antipov E, Lebedev O, Van Tendeloo G, Kopnin E, Karpinski J, Physica: C : superconductivity 301, 155 (1998). http://doi.org/10.1016/S0921-4534(98)00108-7
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.404
Times cited: 9
DOI: 10.1016/S0921-4534(98)00108-7
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“Effects of intersubband coupling on Friedel oscillations in quasi-two-dimensional electron systems”. Hai GQ, Peeters FM, Studart N, Marques GE, Superlattices and microstructures 25, 185 (1999). http://doi.org/10.1006/spmi.1998.0635
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.123
Times cited: 2
DOI: 10.1006/spmi.1998.0635
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“Effects of intersubband interaction on multisubband electron transport in single and double quantum wells”. Hai GQ, Studart N, Marques GE, Peeters FM, Koenraad PM, Physica. E: Low-dimensional systems and nanostructures 2, 222 (1998). http://doi.org/10.1016/S1386-9477(98)00048-4
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.221
Times cited: 3
DOI: 10.1016/S1386-9477(98)00048-4
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“Effects of lateral asymmetry on electronic structure of strained semiconductor nanorings in a magnetic field”. Milošević, MM, Tadić, M, Peeters FM, Nanotechnology 19 (2008). http://doi.org/10.1088/0957-4484/19/45/455401
Abstract: The influence of lateral asymmetry on the electronic structure and optical transitions in elliptical strained InAs nanorings is analyzed in the presence of a perpendicular magnetic field. Two-dimensional rings are assumed to have elliptical inner and outer boundaries oriented in mutually orthogonal directions. The influence of the eccentricity of the ring on the energy levels is analyzed. For large eccentricity of the ring, we do not find any AharonovBohm effect, in contrast to circular rings. Rather, the single-particle states of the electrons and the holes are localized as in two laterally coupled quantum dots formed in the lobes of the nanoring. Our work indicates that the control of shape is important for the existence of the AharonovBohm effect in semiconductor nanorings.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.44
Times cited: 11
DOI: 10.1088/0957-4484/19/45/455401
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“The effects of moderate thermal treatments under air on LiFePO4-based nano powders”. Hamelet S, Gibot P, Casas-Cabanas M, Bonnin D, Grey CP, Cabana J, Leriche JB, Rodriguez-Carvajal J, Courty M, Levasseur S, Carlach P, Van Thournout M, Tarascon JM, Masquelier C;, Journal of materials chemistry 19, 3979 (2009). http://doi.org/10.1039/b901491h
Abstract: The thermal behavior under air of LiFePO(4)-based powders was investigated through the combination of several techniques such as temperature-controlled X-ray diffraction, thermogravimetric analysis and Mossbauer and NMR spectroscopies. The reactivity with air at moderate temperatures depends on the particle size and leads to progressive displacement of Fe from the core structure yielding nano-size Fe(2)O(3) and highly defective, oxidized Li(x)Fe(y)PO(4) compositions whose unit-cell volume decreases dramatically when the temperature is raised between 400 and 600 K. The novel LiFePO(4)-like compositions display new electrochemical reactivity when used as positive electrodes in Li batteries. Several redox phenomena between 3.4 V and 2.7 V vs. Li were discovered and followed by in-situ X-ray diffraction, which revealed two distinct solid solution domains associated with highly anisotropic variations of the unit-cell constants.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 93
DOI: 10.1039/b901491h
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“Effects of nanocracks on the magnetic and electrical properties of La0.8Sr0.2MnO3 single crystals”. Dominiczak M, Ruyter A, Limelette P, Monot-Laffez I, Giovannelli F, Rossell MD, Van Tendeloo G, Solid state communications 149, 1543 (2009). http://doi.org/10.1016/j.ssc.2009.06.001
Abstract: An investigation of the physical properties of La0.8Sr0.2MnO3 single crystals grown by the molten zone technique is realized close to the metal-to-insulator transition temperature (TMI). In this paper, we review the effect of the structural defects through magnetotransport and local magnetic microstructures. From electron microscopy observations, some nanocrack defects (i.e. defects at a nanometer scale) were found, essentially in the center part of the single crystals. At room temperature, magnetic force microscopy measurements have shown that the absence of defects allowed a magnetic ordering of the domains at the crystal edge, which is the best-crystallized region. In addition, the magnetization loops have permitted us to verify that the crystal was ferromagnetically weaker in the center. On analyzing the electrical resistivity data, we observed in the linear current regime a sensitive variation of the resistivity due to defects, by comparing the center and the edge of the material at TMI. Additionally, at strong current, non-linearity phenomena have been supposed to be related to local heating. Finally, we discuss the structural disorder effect on the relaxation of the ferromagnetic domains.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.554
Times cited: 3
DOI: 10.1016/j.ssc.2009.06.001
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“Effects of the annealing conditions on the structural and superconducting properties of Bi2-xPbxSr2Y0.2Ca0.8Cu2Oz”. Calestani G, Salsi G, Francesconi MG, Masini M, Dimesso L, Migliori A, Zhang XF, Van Tendeloo G, Physica: C : superconductivity 206, 33 (1993). http://doi.org/10.1016/0921-4534(93)90698-P
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.942
Times cited: 10
DOI: 10.1016/0921-4534(93)90698-P
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“Effects of the DX centers on electronic structure of a δ-doped quantum barrier”. Shi JM, Koenraad PM, van de Stadt AFW, Peeters FM, Devreese JT, Wolter JH, , 2355 (1996)
Keywords: P3 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
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“Effects of thermal fluctuations on the magnetic behavior of mesoscopic superconductors”. Hernández AD, Baelus BJ, Domínguez D, Peeters FM, Physical review : B : condensed matter and materials physics 71, 214524 (2005). http://doi.org/10.1103/PhysRevB.71.214524
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 14
DOI: 10.1103/PhysRevB.71.214524
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“Efficient amorphous platinum catalyst cluster growth on porous carbon : a combined molecular dynamics and experimental study”. Xie L, Brault P, Coutanceau C, Bauchire J-M, Caillard A, Baranton S, Berndt J, Neyts EC, Applied catalysis : B : environmental 162, 21 (2015). http://doi.org/10.1016/j.apcatb.2014.06.032
Abstract: Amorphous platinum clusters supported on porous carbon have been envisaged for high-performance fuel cell electrodes. For this application, it is crucial to control the morphology of the Pt layer and the Ptsubstrate interaction to maximize activity and stability. We thus investigate the morphology evolution during Pt cluster growth on a porous carbon substrate employing atomic scale molecular dynamics simulations. The simulations are based on the Pt-C interaction potential using parameters derived from density functional theory and are found to yield a Pt cluster morphology similar to that observed in low loaded fuel cell electrodes prepared by plasma sputtering. Moreover, the simulations show amorphous Pt cluster growth in agreement with X-ray diffraction and transmission electron microscopy experiments on high performance low Pt content (10 μgPt cm−2) loaded fuel cell electrodes and provide a fundamental insight in the cluster growth mechanism.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 9.446
Times cited: 20
DOI: 10.1016/j.apcatb.2014.06.032
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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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“An efficient way of including thermal diffuse scattering in simulation of scanning transmission electron microscopic images”. Croitoru MD, van Dyck D, Van Aert S, Bals S, Verbeeck J, Ultramicroscopy 106, 933 (2006). http://doi.org/10.1016/j.ultramic.2006.04.006
Abstract: We propose an improved image simulation procedure for atomic-resolution annular dark-field scanning transmission electron microscopy (STEM) based on the multislice formulation, which takes thermal diffuse scattering fully into account. The improvement with regard to the classical frozen phonon approach is realized by separating the lattice configuration statistics from the dynamical scattering so as to avoid repetitive calculations. As an example, the influence of phonon scattering on the image contrast is calculated and investigated. STEM image simulation of crystals can be applied with reasonable computing times to problems involving a large number of atoms and thick or large supercells.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab
Impact Factor: 2.843
Times cited: 18
DOI: 10.1016/j.ultramic.2006.04.006
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“Elastic modes of vortex configurations in thin disks”. Cabral LRE, Peeters FM, Physical review : B : condensed matter and materials physics 70, 214522 (2004). http://doi.org/10.1103/PhysRevB.70.214522
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 6
DOI: 10.1103/PhysRevB.70.214522
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“Electric charges in superconducting mesoscopic samples”. Yampolskii SV, Baelus BJ, Peeters FM, Kolacek J, Czechoslovak journal of physics
T2 –, 11th Czech and Slovak Conference on Magnetism (CSMAG 01), AUG 20-23, 2001, KOSICE, SLOVAKIA 52, 303 (2002). http://doi.org/10.1023/A:1014412905806
Abstract: The distribution of the electric charge density in mesoscopic superconducting disks and cylinders is studied within the phenomenological Ginzburg-Landau approach. We found that, even in the Meissner state the mesoscopic sample exhibits a non-uniform charge distribution such that a region near the sample edge becomes negatively charged. When vortices are inside the sample there is a superposition of the negative charge located at the vortex core and this Meissner charge, and, as a result, the charge at the sample edge changes sign as a function of the applied magnetic field.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1023/A:1014412905806
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“Electric field: A catalyst for hydrogenation of graphene”. Ao ZM, Peeters FM, Applied physics letters 96, 3 (2010). http://doi.org/10.1063/1.3456384
Abstract: Due to the importance of hydrogenation of graphene for several applications, we present an alternative approach to hydrogenate graphene based on density functional theory calculations. We find that a negative perpendicular electric field F can act as a catalyst to reduce the energy barrier for molecular H<sub>2</sub> dissociative adsorption on graphene. Increasing -F above 0.02 a.u. (1 a.u.=5.14×10<sup>11</sup> V/m), this hydrogenation process occurs smoothly without any potential barrier.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 88
DOI: 10.1063/1.3456384
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“Electric field activated hydrogen dissociative adsorption to nitrogen-doped graphene”. Ao ZM, Peeters FM, The journal of physical chemistry: C : nanomaterials and interfaces 114, 14503 (2010). http://doi.org/10.1021/jp103835k
Abstract: Graphane, hydrogenated graphene, was very recently synthesized and predicted to have great potential applications. In this work, we propose a new promising approach for hydrogenation of graphene based on density functional theory (DFT) calculations through the application of a perpendicular electric field after substitutionally doping by nitrogen atoms. These DFT calculations show that the doping by nitrogen atoms into the graphene layer and applying an electrical field normal to the graphene surface induce dissociative adsorption of hydrogen. The dissociative adsorption energy barrier of an H2 molecule on a pristine graphene layer changes from 2.7 to 2.5 eV on N-doped graphene, and to 0.88 eV on N-doped graphene under an electric field of 0.005 au. When increasing the electric field above 0.01 au, the reaction barrier disappears. Therefore, N doping and applying an electric field have catalytic effects on the hydrogenation of graphene, which can be used for hydrogen storage purposes and nanoelectronic applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4.536
Times cited: 110
DOI: 10.1021/jp103835k
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“Electric-field control of the band gap and Fermi energy in graphene multilayers by top and back gates”. Avetisyan AA, Partoens B, Peeters FM, Physical review : B : solid state 80, 195401 (2009). http://doi.org/10.1103/PhysRevB.80.195401
Abstract: It is known that a perpendicular electric field applied to multilayers of graphene modifies the electronic structure near the K point and may induce an energy gap in the electronic spectrum which is tunable by the gate voltage. Here we consider a system of graphene multilayers in the presence of a positively charged top and a negatively charged back gate to control independently the density of electrons on the graphene layers and the Fermi energy of the system. The band structure of three- and four-layer graphene systems in the presence of the top and back gates is obtained using a tight-binding approach. A self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We predict that for opposite and equal charges on the top and bottom layers an energy gap is opened at the Fermi level. For an even number of layers this gap is larger than in the case of an odd number of graphene layers. We find that the circular asymmetry of the spectrum, which is a consequence of the trigonal warping, changes the size of the induced electronic gap, even when the total density of the induced electrons on the graphene layers is low.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 106
DOI: 10.1103/PhysRevB.80.195401
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“Electric-field-induced shift of the Mott metal-insulator transition in thin films”. Nasr Esfahani D, Covaci L, Peeters FM, Physical review : B : condensed matter and materials physics 85, 085110 (2012). http://doi.org/10.1103/PhysRevB.85.085110
Abstract: The ground-state properties of a paramagnetic Mott insulator at half-filling are investigated in the presence of an external electric field using the inhomogeneous Gutzwiller approximation for a single-band Hubbard model in a slab geometry. We find that the metal-insulator transition is shifted toward higher Hubbard repulsions by applying an electric field perpendicular to the slab. The main reason is the accumulation of charges near the surface. The spatial distribution of site-dependent quasiparticle weight shows that it is maximal in a few layers beneath the surface, while the central sites where the field is screened have a very low quasiparticle weight. Our results show that above a critical-field value, states near the surface will be metallic, while the bulk quasiparticle weight is extremely suppressed but never vanishing, even for large Hubbard repulsions above the bulk zero-field critical value. Below the critical-field value, our results hint toward an insulating state in which the electric field is totally screened and the slab is again at half-filling.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 3
DOI: 10.1103/PhysRevB.85.085110
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“Electric-field manipulation of spin states in confined non-magnetic/magnetic heterostructures”. Borza S, Peeters FM, Vasilopoulos P, Papp G, Journal of physics : condensed matter 19, 176221 (2007). http://doi.org/10.1088/0953-8984/19/17/176221
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 4
DOI: 10.1088/0953-8984/19/17/176221
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“Electric field tuning of the band gap in four layers of graphene with different stacking order”. Avetisyan AA, Partoens B, Peeters FM, Proceedings of the Society of Photo-optical Instrumentation Engineers
T2 –, Conference on Photonics and Micro and Nano-structured Materials, JUN 28-30, 2011, Yerevan, ARMENIA , 84140 (2012). http://doi.org/10.1117/12.923618
Abstract: We investigated the effect of different stacking order of the four graphene layer system on the induced band gap when positively charged top and negatively charged back gates are applied to the system. A tight-binding approach within a self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We show that the electric field does not open an energy gap if the multilayer graphene system contains a trilayer part with the ABA Bernal stacking.
Keywords: P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
DOI: 10.1117/12.923618
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“Electric field tuning of the band gap in graphene multilayers”. Avetisyan AA, Partoens B, Peeters FM, Physical review : B : solid state 79, 035421 (2009). http://doi.org/10.1103/PhysRevB.79.035421
Abstract: A perpendicular electric field applied to multilayers of graphene modifies the electronic structure near the K point and may induce an energy gap in the electronic spectrum. This gap is tunable by the gate voltage and its size depends on the number of layers. We use a tight-binding approach to calculate the band structure and include a self-consistent calculation in order to obtain the density of charge carriers. Results are presented for systems consisting of three and four layers of graphene. The effect of the circular asymmetry of the band structure on the gap is critically examined.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 106
DOI: 10.1103/PhysRevB.79.035421
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“Electrical and thermal-properties of a 2-dimensional electron-gas in a one-dimensional periodic potential”. Peeters FM, Vasilopoulos P, Physical review : B : condensed matter and materials physics 46, 4667 (1992). http://doi.org/10.1103/PhysRevB.46.4667
Abstract: We investigate the influence of a periodic weak modulation along the x direction on the electrical and thermal properties of a two-dimensional electron gas in the presence of a perpendicular magnetic field. The modulation lifts the degeneracy of the Landau levels and leads to one-dimensional magnetic bands whose bandwidth oscillates as a function of the magnetic field. At weak magnetic fields this gives rise to the Weiss oscillations in the magnetoresistance, discovered recently, which have a very weakly temperature-dependent amplitude and a period proportional to square-root n(e), when n(e) is the electron density. Diffusion-current contributions, proportional to the square of the bandwidth, dominate rho(xx), and collisional contributions, varying approximately as the square of the density of states, dominate rho(yy). The result is that rho(xx) and rho(yy) oscillate out of phase as observed. Asymptotic analytical expressions are presented for the conductivity tensor. Similar oscillations, of much smaller amplitude, occur in the thermodynamic quantities, such as the magnetization, the susceptibility, and the specific heat. We also predict oscillations in the Hall resistance, the cyclotron resonance position, the linewidth, as well as in the thermal conductivity and thermopower. The components of the thermal-resistance tensor have a magnetic-field dependence similar to that of the electrical-resistivity tensor.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 148
DOI: 10.1103/PhysRevB.46.4667
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“Electrical and thermal transport of composite fermions”. Karavolas VC, Triberis GP, Peeters FM, Physical review : B : condensed matter and materials physics 56, 15289 (1997). http://doi.org/10.1103/PhysRevB.56.15289
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 11
DOI: 10.1103/PhysRevB.56.15289
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“Electrical control of the chemical bonding of fluorine on graphene”. Sofo JO, Suarez AM, Usaj G, Cornaglia PS, Hernández-Nieves AD, Balseiro CA, Physical review : B : condensed matter and materials physics 83, 081411 (2011). http://doi.org/10.1103/PhysRevB.83.081411
Abstract: We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F atom adsorbed on top of a C atom in graphene strongly depends on carrier doping. In neutral samples the F impurities induce a sp(3)-like bonding of the C atom below, generating a local distortion of the hexagonal lattice. As the graphene is electron-doped, the C atom retracts back to the graphene plane and for high doping (10(14) cm(-2)) its electronic structure corresponds to a nearly pure sp(2) configuration. We interpret this sp(3)-sp(2) doping-induced crossover in terms of a simple tight-binding model and discuss the physical consequences of this change.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 65
DOI: 10.1103/PhysRevB.83.081411
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