“The work function of few-layer graphene”. Leenaerts O, Partoens B, Peeters FM, Volodin A, van Haesendonck C, Journal of physics : condensed matter 29, 035003 (2017). http://doi.org/10.1088/0953-8984/29/3/035003
Abstract: A theoretical and experimental study of the work function of few-layer graphene is reported. The influence of the number of layers on the work function is investigated in the presence of a substrate, a molecular dipole layer, and combinations of the two. The work function of few-layer graphene is almost independent of the number of layers with only a difference between monolayer and multilayer graphene of about 60 meV. In the presence of a charge-donating substrate the charge distribution is found to decay exponentially away from the substrate and this is directly reflected in the work function of few-layer graphene. A dipole layer changes the work function only when placed in between the substrate and few-layer graphene through a change of the charge transfer between the two.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Times cited: 61
DOI: 10.1088/0953-8984/29/3/035003
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“Ab initio study of hydrogenic effective mass impurities in Si nanowires”. Peelaers H, Durgun E, Partoens B, Bilc DI, Ghosez P, Van de Walle CG, Peeters FM, Journal of physics : condensed matter 29, 095303 (2017). http://doi.org/10.1088/1361-648X/AA5768
Abstract: The effect of B and P dopants on the band structure of Si nanowires is studied using electronic structure calculations based on density functional theory. At low concentrations a dispersionless band is formed, clearly distinguishable from the valence and conduction bands. Although this band is evidently induced by the dopant impurity, it turns out to have purely Si character. These results can be rigorously analyzed in the framework of effective mass theory. In the process we resolve some common misconceptions about the physics of hydrogenic shallow impurities, which can be more clearly elucidated in the case of nanowires than would be possible for bulk Si. We also show the importance of correctly describing the effect of dielectric confinement, which is not included in traditional electronic structure calculations, by comparing the obtained results with those of G(0)W(0) calculations.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 1
DOI: 10.1088/1361-648X/AA5768
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“Giant magnetic anisotropy in doped single layer molybdenum disulfide and fluorographene”. Sivek J, Sahin H, Partoens B, Peeters FM, Journal of physics : condensed matter 28, 195301 (2016). http://doi.org/10.1088/0953-8984/28/19/195301
Abstract: Stable monolayer materials based on existing, well known and stable two-dimensional crystal fluorographene and molybdenum disulfide are predicted to exhibit a huge magnetocrystalline anisotropy when functionalized with adsorbed transition metal atoms at vacant sides. Ab initio calculations within the density-functional theory formalism were performed to investigate the adsorption of the transitional metals in a single S (or F) vacancy of monolayer molybdenum disulfide (or fluorographene). We found strong bonding of the transitional metal atoms to the vacant sites with binding energies ranging from 2.5 to 5.2 eV. Our calculations revealed that these systems with adsorbed metal atoms exhibit a magnetic anisotropy, specifically the structures including Os and Ir show a giant magnetocrystalline anisotropy energy of 31-101 meV. Our results demonstrate the possibility of obtaining stable monolayer materials with huge magnetocrystalline anisotropy based on preexisting, well known and stable two-dimensional crystals: fluorographene and molybdenum disulfide. We believe that the results obtained here are useful not only for deeper understanding of the origin of magnetocrystalline anisotropy but also for the design of monolayer optoelectronic devices with novel functionalities.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 7
DOI: 10.1088/0953-8984/28/19/195301
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“The 30-band k . p theory of valley splitting in silicon thin layers”. Cukaric NA, Partoens B, Tadic MZ, Arsoski VV, Peeters FM, Journal of physics : condensed matter 28, 195303 (2016). http://doi.org/10.1088/0953-8984/28/19/195303
Abstract: The valley splitting of the conduction-band states in a thin silicon-on-insulator layer is investigated using the 30-band k . p theory. The system composed of a few nm thick Si layer embedded within thick SiO2 layers is analyzed. The valley split states are found to cross periodically with increasing quantum well width, and therefore the energy splitting is an oscillatory function of the quantum well width, with period determined by the wave vector K-0 of the conduction band minimum. Because the valley split states are classified by parity, the optical transition between the ground hole state and one of those valley split conduction band states is forbidden. The oscillations in the valley splitting energy decrease with electric field and with smoothing of the composition profile between the well and the barrier by diffusion of oxygen from the SiO2 layers to the Si quantum well. Such a smoothing also leads to a decrease of the interband transition matrix elements. The obtained results are well parametrized by the effective two-valley model, but are found to disagree from previous 30-band calculations. This discrepancy could be traced back to the fact that the basis for the numerical solution of the eigenproblem must be restricted to the first Brillouin zone in order to obtain quantitatively correct results for the valley splitting.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
DOI: 10.1088/0953-8984/28/19/195303
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“Hydrogen adsorption on nitrogen and boron doped graphene”. Pizzochero M, Leenaerts O, Partoens B, Martinazzo R, Peeters FM, Journal of physics : condensed matter 27, 425502 (2015). http://doi.org/10.1088/0953-8984/27/42/425502
Abstract: Hydrogen adsorption on boron and nitrogen doped graphene is investigated in detail by means of first-principles calculations. A comprehensive study is performed of the structural, electronic, and magnetic properties of chemisorbed hydrogen atoms and atom pairs near the dopant sites. The main effect of the substitutional atoms is charge doping which is found to greatly affect the adsorption process by increasing the binding energy at the sites closest to the substitutional species. It is also found that doping does not induce magnetism despite the odd number of electrons per atom introduced by the foreign species, and that it quenches the paramagnetic response of chemisorbed H atoms on graphene. Overall, the effects are similar for B and N doping, with only minor differences in the adsorption energetics due to different sizes of the dopant atoms and the accompanying lattice distortions.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 20
DOI: 10.1088/0953-8984/27/42/425502
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“Extended homologous series of Sn–O layered systems: A first-principles study”. Govaerts K, Partoens B, Lamoen D, Solid state communications 243, 36 (2016). http://doi.org/10.1016/j.ssc.2016.06.006
Abstract: Apart from the most studied tin-oxide compounds, SnO and SnO2, intermediate states have been claimed to exist for more than a hundred years. In addition to the known homologous series (Seko et al., Phys. Rev. Lett. 100, 045702 (2008)), we here predict the existence of several new compounds with an O concentration between 50 % (SnO) and 67 % (SnO2). All these intermediate compounds are constructed from removing one or more (101) oxygen layers of SnO2. Since the van der Waals (vdW) interaction is known to be important for the Sn-Sn interlayer distances, we use a vdW-corrected functional, and compare these results with results obtained with PBE and hybrid functionals. We present the electronic properties of the intermediate structures and we observe a decrease of the band gap when (i) the O concentration increases and (ii) more SnO-like units are present for a given concentration. The contribution of the different atoms to the valence and conduction band is also investigated.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 1.554
Times cited: 10
DOI: 10.1016/j.ssc.2016.06.006
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“Coherent level mixing in dot energy spectra measured by magnetoresonant tunneling spectroscopy of vertical quantum dot molecules”. Payette C, Amaha S, Yu G, Gupta JA, Austing DG, Nair SV, Partoens B, Tarucha S, Physical review : B : condensed matter and materials physics 81, 245310 (2010). http://doi.org/10.1103/PhysRevB.81.245310
Abstract: We study by magnetoresonant tunneling spectroscopy single-particle energy spectra of the constituent weakly coupled dots in vertical quantum dot molecules over a wide energy window. The measured energy spectra are well modeled by calculated spectra for dots with in-plane confinement potentials that are elliptical and parabolic in form. However, in the regions where two, three, or four single-particle energy levels are naively expected to cross, we observe pronounced level anticrossing behavior and strong variations in the resonant currents as a consequence of coherent mixing induced by small deviations in the nearly ideal dot confinement potentials. We present detailed analysis of the energy spectra, and focus on two examples of three-level crossings whereby the coherent mixing leads to concurrent suppression and enhancement of the resonant currents when the anticrossing levels are minimally separated. The suppression of resonant current is of particular interest since it is a signature of dark state formation due to destructive interference. We also describe in detail and compare two measurement strategies to reliably extract the resonant currents required to characterize the level mixing.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 6
DOI: 10.1103/PhysRevB.81.245310
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“Electron-electron interactions in bilayer graphene quantum dots”. Zarenia M, Partoens B, Chakraborty T, Peeters FM, Physical review : B : condensed matter and materials physics 88, 245432 (2013). http://doi.org/10.1103/PhysRevB.88.245432
Abstract: A parabolic quantum dot (QD) as realized by biasing nanostructured gates on bilayer graphene is investigated in the presence of electron-electron interaction. The energy spectrum and the phase diagram reveal unexpected transitions as a function of a magnetic field. For example, in contrast to semiconductor QDs, we find a valley transition rather than only the usual singlet-triplet transition in the ground state of the interacting system. The origin of these features can be traced to the valley degree of freedom in bilayer graphene. These transitions have important consequences for cyclotron resonance experiments.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 29
DOI: 10.1103/PhysRevB.88.245432
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“Hydrogenation of bilayer graphene and the formation of bilayer graphane from first principles”. Leenaerts O, Partoens B, Peeters FM, Physical review : B : solid state 80, 245422 (2009). http://doi.org/10.1103/PhysRevB.80.245422
Abstract: We performed ab initio density-functional theory calculations to investigate the process of hydrogenation of a bilayer of graphene. 50% hydrogen coverage is possible in case that the hydrogen atoms are allowed to adsorb on both sides of the bilayer. In this case interlayer chemical bonding occurs which stabilizes the structure. At maximum coverage, a bilayer of graphane is formed which has properties that are similar to those of a single layer of graphane.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 113
DOI: 10.1103/PhysRevB.80.245422
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“The interband optical absorption in silicon quantum wells : application of the 30-band k . p model”. Čukarić, NA, Tadić, MZ, Partoens B, Peeters FM, Applied physics letters 104, 242103 (2014). http://doi.org/10.1063/1.4884122
Abstract: The interband optical absorption in Si/SiO2 quantum wells is calculated as function of the well width (W) and the evolution from an indirect to a direct gap material as function of the well width is investigated. In order to compute the electron states in the conduction band, the 30-band k . p model is employed, whereas the 6-band Luttinger-Kohn model is used for the hole states. We found that the effective direct band gap in the quantum well agrees very well with the W-2 scaling result of the single-band model. The interband matrix elements for linear polarized light oscillate with the quantum well width, which agrees qualitatively with a single band calculation. Our theoretical results indicate that the absorption can be maximized by a proper choice of the well width. However, the obtained absorption coefficients are at least an order of magnitude smaller than for a typical direct semiconductor even for a well width of 2 nm. (C) 2014 AIP Publishing LLC.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 1
DOI: 10.1063/1.4884122
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“Paramagnetic adsorbates on graphene: a charge transfer analysis”. Leenaerts O, Partoens B, Peeters FM, Applied physics letters 92, 243125 (2008). http://doi.org/10.1063/1.2949753
Abstract: We introduce a modified version of the Hirshfeld charge analysis method and demonstrate its accurateness by calculating the charge transfer between the paramagnetic molecule NO2 and graphene. The charge transfer between paramagnetic molecules and a graphene layer as calculated with ab initio methods can crucially depend on the size of the supercell used in the calculation. This has important consequences for adsorption studies involving paramagnetic molecules such as NO2 physisorbed on graphene or on carbon nanotubes. © 2008 American Institute of Physics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 79
DOI: 10.1063/1.2949753
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“Tuning of the spin-orbit interaction in a quantum dot by an in-plane magnetic field”. Nowak MP, Szafran B, Peeters FM, Partoens B, Pasek WJ, Physical review : B : condensed matter and materials physics 83, 245324 (2011). http://doi.org/10.1103/PhysRevB.83.245324
Abstract: Using an exact-diagonalization approach we show that one- and two-electron InAs quantum dots exhibit an avoided crossing in the energy spectra that is induced by the spin-orbit coupling in the presence of an in-plane external magnetic field. The width of the avoided crossings depends strongly on the orientation of the magnetic field, which reveals the intrinsic anisotropy of the spin-orbit-coupling interactions. We find that for specific orientations of the magnetic field avoided crossings vanish. A value of this orientation can be used to extract the ratio of the strength of Rashba and Dresselhaus interactions. The spin-orbit anisotropy effects for various geometries and orientations of the confinement potential are discussed. Our analysis explains the physics behind the recent measurements performed on a gated self-assembled quantum dot [ S. Takahashi et al. Phys. Rev. Lett. 104 246801 (2010)].
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 27
DOI: 10.1103/PhysRevB.83.245324
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“A combined experimental and computational approach to understanding CdS pigment oxidation in a renowned early 20th century painting”. Mayda S, Monico L, Krishnan D, De Meyer S, Cotte M, Garrevoet J, Falkenberg G, Sandu ICA, Partoens B, Lamoen D, Romani A, Miliani C, Verbeeck J, Janssens K, Chemistry of materials 35, 10403 (2023). http://doi.org/10.1021/ACS.CHEMMATER.3C01470
Abstract: Cadmium sulfide (CdS)-based yellow pigments have been used in a number of early 20th century artworks, including The Scream series painted by Edvard Munch. Some of these unique paintings are threatened by the discoloration of these CdS-based yellow oil paints because of the oxidation of the original sulfides to sulfates. The experimental data obtained here prove that moisture and cadmium chloride compounds play a key role in promoting such oxidation. To clarify how these two factors effectively prompt the process, we studied the band alignment between CdS, CdCl2, and Cd-(OH)Cl as well as the radicals center dot OH and H3O center dot by density functional theory (DFT) methods. Our results show that a stack of several layers of Cd-(OH)Cl creates a pocket of positive holes at the Cl-terminated surface and a pocket of electrons at the OH-terminated surface by leading in a difference in ionization energy at both surfaces. The resulting band alignment indicates that Cd-(OH)Cl can indeed play the role of an oxidative catalyst for CdS in a moist environment, thus providing an explanation for the experimental evidence.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Impact Factor: 8.6
DOI: 10.1021/ACS.CHEMMATER.3C01470
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“Dielectric mismatch effect on the exciton states in cylindrical nanowires”. Slachmuylders AF, Partoens B, Magnus W, Peeters FM, Physical review : B : condensed matter and materials physics 74, 235321 (2006). http://doi.org/10.1103/PhysRevB.74.235321
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 39
DOI: 10.1103/PhysRevB.74.235321
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“Effect of strain on the magnetoexciton ground state in InP/GaxIn1-xP quantum disks”. Janssens KL, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 67, 235325 (2003). http://doi.org/10.1103/PhysRevB.67.235325
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 23
DOI: 10.1103/PhysRevB.67.235325
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“Electronic structure and optical absorption of GaAs/AlxGa1-xAs and AlxGa1-xAs/GaAs core-shell nanowires”. Kishore VVR, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 82, 235425 (2010). http://doi.org/10.1103/PhysRevB.82.235425
Abstract: The electronic structure of GaAs/AlxGa1−xAs and AlxGa1−xAs/GaAs core-shell nanowires grown in the [001] direction is studied. The k⋅p method with the 6×6 Kohn-Lüttinger Hamiltonian, taking into account the split-off band is used. The variation in the energy level dispersion, the spinor contribution to the ground state and the optical interband absorption are studied. For some range of parameters the top of the valence band exhibits a camelback structure which results in an extra peak in the optical absorption.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 23
DOI: 10.1103/PhysRevB.82.235425
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“Stark shift in single and vertically coupled type-I and type-II quantum dots”. Janssens KL, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 65, 233301 (2002). http://doi.org/10.1103/PhysRevB.65.233301
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 43
DOI: 10.1103/PhysRevB.65.233301
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“van der Waals bonding and the quasiparticle band structure of SnO from first principles”. Govaerts K, Saniz R, Partoens B, Lamoen D, Physical review : B : condensed matter and materials physics 87, 235210 (2013). http://doi.org/10.1103/PhysRevB.87.235210
Abstract: In this work we have investigated the structural and electronic properties of SnO, which is built up from layers kept together by van der Waals (vdW) forces. The combination of a vdW functional within density functional theory (DFT) and quasiparticle band structure calculations within the GW approximation provides accurate values for the lattice parameters, atomic positions, and the electronic band structure including the fundamental (indirect) and the optical (direct) band gap without the need of experimental or empirical input. A systematic comparison is made between different levels of self-consistency within the GW approach {following the scheme of Shishkin et al. [Phys. Rev. B 75, 235102 (2007)]} and the results are compared with DFT and hybrid functional results. Furthermore, the effect of the vdW-corrected functional as a starting point for the GW calculation of the band gap has been investigated. Finally, we studied the effect of the vdW functional on the electron charge density.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 50
DOI: 10.1103/PhysRevB.87.235210
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“Water on graphene: hydrophobicity and dipole moment using density functional theory”. Leenaerts O, Partoens B, Peeters FM, Physical review : B : solid state 79, 235440 (2009). http://doi.org/10.1103/PhysRevB.79.235440
Abstract: We apply density-functional theory to study the adsorption of water clusters on the surface of a graphene sheet and find i) graphene is highly hydrophobic and ii) adsorbed water has very little effect on the electronic structure of graphene. A single water cluster on graphene has a very small average dipole moment which is in contrast with an ice layer that exhibits a strong dipole moment.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 292
DOI: 10.1103/PhysRevB.79.235440
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“Reduced Na2+xTi4O9 composite : a durable anode for sodium-ion batteries”. De Sloovere D, Safari M, Elen K, D'Haen J, Drozhzhin OA, Abakumov AM, Simenas M, Banys J, Bekaert J, Partoens B, Van Bael MK, Hardy A, Chemistry of materials 30, 8521 (2018). http://doi.org/10.1021/ACS.CHEMMATER.8B03301
Abstract: Sodium-ion batteries (SIBs) are potential cost-effective solutions for stationary energy storage applications. Unavailability of suitable anode materials, however, is one of the important barriers to the maturity of SIBs. Here, we report a Na2+xTi4O9/C composite as a promising anode candidate for SIBs with high capacity and cycling stability. This anode is characterized by a capacity of 124 mAh g(-1) (plus 11 mAh g(-1) contributed by carbon black), an average discharge potential of 0.9 V vs Na/Na+, a good rate capability and a high stability (89% capacity retention after 250 cycles at a rate of 1 degrees C). The mechanisms of sodium insertion/deinsertion and of the formation of Na2+xTi4O9/C are investigated with the aid of various ex/in situ characterization techniques. The in situ formed carbon is necessary for the formation of the reduced sodium titanate. This synthesis method may enable the convenient synthesis of other composites of crystalline phases with amorphous carbon.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 9.466
Times cited: 7
DOI: 10.1021/ACS.CHEMMATER.8B03301
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“Modeling single-particle energy levels and resonance currents in a coherent electronic quantum dot mixer”. Payette C, Partoens B, Yu G, Gupta JA, Austing DG, Nair SV, Amaha S, Tarucha S, Applied physics letters 94, 222101 (2009). http://doi.org/10.1063/1.3147196
Abstract: We present model calculations based on a coherent tunneling picture, which reproduce well both the single-particle energy level position and the resonant current strength at two typical anticrossings, one involving two levels and the other three levels in a coherent mixer composed of two weakly coupled vertical quantum dots. An essential ingredient is the inclusion of higher degree terms to account for deviations from an ideal elliptical parabolic confining potential in realistic dots. We also calculate density plots of the mixed states for the modified potential.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 5
DOI: 10.1063/1.3147196
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“One-dimensional modulation of the superconducting boundary condition for thin superconducting films”. Baelus BJ, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 73, 212503 (2006). http://doi.org/10.1103/PhysRevB.73.212503
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 5
DOI: 10.1103/PhysRevB.73.212503
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“30-band k\cdot p model of electron and hole states in silicon quantum wells”. Čukarić, NA, Tadić, MZ, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 88, 205306 (2013). http://doi.org/10.1103/PhysRevB.88.205306
Abstract: We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 10
DOI: 10.1103/PhysRevB.88.205306
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“Electronic structure of transparent oxides with the Tran-Blaha modified Becke-Johnson potential”. Dixit H, Saniz R, Cottenier S, Lamoen D, Partoens B, Journal of physics : condensed matter 24, 205503 (2012). http://doi.org/10.1088/0953-8984/24/20/205503
Abstract: We present electronic band structures of transparent oxides calculated using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. We studied the basic n-type conducting binary oxides In2O3, ZnO, CdO and SnO2 along with the p-type conducting ternary oxides delafossite CuXO2 (X = Al, Ga, In) and spinel ZnX2O4 (X = Co, Rh, Ir). The results are presented for calculated band gaps and effective electron masses. We discuss the improvements in the band gap determination using TB-mBJ compared to the standard generalized gradient approximation (GGA) in density functional theory (DFT) and also compare the electronic band structure with available results from the quasiparticle GW method. It is shown that the calculated band gaps compare well with the experimental and GW results, although the electron effective mass is generally overestimated.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 113
DOI: 10.1088/0953-8984/24/20/205503
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“Influence of Al concentration on the optoelectronic properties of Al-doped MgO”. Sarmadian N, Saniz R, Lamoen D, Partoens B, Physical review : B : condensed matter and materials physics 86, 205129 (2012). http://doi.org/10.1103/PhysRevB.86.205129
Abstract: We use density functional theory within the local density approximation to investigate the structural, electronic, and optical properties of Al-doped MgO. The concentrations considered range from 6% to 56%. In the latter case, we also compare the optical properties of the amorphous and crystalline phases. We find that, overall, the electronic properties of the crystalline phases change qualitatively little with Al concentration. On the other hand, the changes in the electronic structure in the amorphous phase are more important, most notably because of deep impurity levels in the band gap that are absent in the crystalline phase. This leads to observable effects in, e.g., the optical absorption edge and in the refractive index. Thus, the latter can be used to characterize the crystalline to amorphous transition with Al doping level.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 5
DOI: 10.1103/PhysRevB.86.205129
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“Influence of the shape and size of a quantum wire on the trion binding energy”. Sidor Y, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 77, 205413 (2008). http://doi.org/10.1103/PhysRevB.77.205413
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 17
DOI: 10.1103/PhysRevB.77.205413
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“Electron and hole localization in coupled InP/InGaP self-assembled quantum dots”. Tadić, M, Peeters FM, Partoens B, Janssens KL, Physica. E: Low-dimensional systems and nanostructures 13, 237 (2002). http://doi.org/10.1016/S1386-9477(01)00528-8
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.221
Times cited: 5
DOI: 10.1016/S1386-9477(01)00528-8
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“Influence of strain on the magneto-exciton in single and coupled InP/GaInP quantum disks”. Janssens KL, Partoens B, Peeters FM, Physica. E: Low-dimensional systems and nanostructures 21, 349 (2004). http://doi.org/10.1016/j.physe.2003.11.269
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.221
DOI: 10.1016/j.physe.2003.11.269
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“Magnetic field dependence of the normal mode spectrum of a planar complex plasma cluster”. Kong M, Ferreira WP, Partoens B, Peeters FM, IEEE transactions on plasma science 32, 569 (2004). http://doi.org/10.1109/TPS.2004.826084
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.052
Times cited: 4
DOI: 10.1109/TPS.2004.826084
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“Coherent three-level mixing in an electronic quantum dot”. Payette C, Yu G, Gupta JA, Austing DG, Nair SV, Partoens B, Amaha S, Tarucha S, Physical review letters 102, 026808 (2009). http://doi.org/10.1103/PhysRevLett.102.026808
Abstract: We observe magnetic-field-induced level mixing and quantum superposition phenomena between three approaching single-particle states in a quantum dot probed via the ground state of an adjacent quantum dot by single-electron resonant tunneling. The mixing is attributed to anisotropy and anharmonicity in realistic dot confining potentials. The pronounced anticrossing and transfer of strengths (both enhancement and suppression) between resonances can be understood with a simple coherent level mixing model. Superposition can lead to the formation of a dark state by complete cancellation of an otherwise strong resonance, an effect resembling coherent population trapping in a three-level-system of quantum and atom optics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 8.462
Times cited: 26
DOI: 10.1103/PhysRevLett.102.026808
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